RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199979
RefMet name	Hexazinone
Systematic name	3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
Synonyms	PubChem Synonyms
Exact mass	252.158626 (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	C12H20N4O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	155894 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	CAWXEEYDBZRFPE-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic nitrogen compounds
Main Class	Amines
Sub Class	Tertiary amines
Distribution of Hexazinone 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 Hexazinone
External Links
Pubchem CID	39965
ChEBI ID	5705
HMDB ID	HMDB0253153
EPA CompTox	DTXCID804145
Spectral data for Hexazinone standards
MassBank(EU)	View MS spectra