RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199564
RefMet name	Dinitolmide
Systematic name	2-methyl-3,5-dinitrobenzamide
Synonyms	PubChem Synonyms
Exact mass	225.03857 (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	C8H7N3O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	45603 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	ZEFNOZRLAWVAQF-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	Cc1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Benzenes
Sub Class	Toluenes
Distribution of Dinitolmide 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 Dinitolmide
External Links
Pubchem CID	3092
ChEBI ID	174162
HMDB ID	HMDB0032558
Chemspider ID	2982
EPA CompTox	DTXCID4022521
Spectral data for Dinitolmide standards
MassBank(EU)	View MS spectra