RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200190
RefMet name	Tyrphostin
Systematic name	N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
Synonyms	PubChem Synonyms
Exact mass	315.077455 (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	C16H14ClN3O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	144387 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	GFNNBHLJANVSQV-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COc1cc2c(cc1OC)ncnc2Nc1cccc(c1)Cl Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Benzodiazines
Sub Class	Benzodiazines
Distribution of Tyrphostin 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 Tyrphostin
External Links
Pubchem CID	2051
ChEBI ID	75404
HMDB ID	HMDB0248054
EPA CompTox	DTXCID9030044
Spectral data for Tyrphostin standards
MassBank(EU)	View MS spectra