RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0188460
RefMet name	Fenamidone
Systematic name	(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenylimidazol-4-one
Synonyms	PubChem Synonyms
Exact mass	311.109234 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C17H17N3OS	View other entries in RefMet with this formula
Molecular descriptors
Molfile	155627 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	LMVPQMGRYSRMIW-KRWDZBQOSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]1(c2ccccc2)C(=O)N(C(=N1)SC)Nc1ccccc1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Azoles
Sub Class	Imidazolones
Distribution of Fenamidone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Fenamidone
External Links
Pubchem CID	10403199
ChEBI ID	83258
EPA CompTox	DTXCID80209534
Spectral data for Fenamidone standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)