RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199139
RefMet name	Sunitinib
Systematic name	N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide
Synonyms	PubChem Synonyms
Exact mass	398.211804 (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	C22H27FN4O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43473 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	WINHZLLDWRZWRT-ATVHPVEESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCN(CC)CCNC(=O)c1c(C)c(/C=C\2/c3cc(ccc3NC2=O)F)[nH]c1C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tryptophan alkaloids
Sub Class	Indolines
Distribution of Sunitinib 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 Sunitinib
External Links
Pubchem CID	5329102
ChEBI ID	38940
HMDB ID	HMDB0015397
Chemspider ID	4486264
EPA CompTox	DTXCID60810480
Spectral data for Sunitinib standards
MassBank(EU)	View MS spectra