Metabolite 2-hydroxyflutamide

Name

2-hydroxyflutamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

31D90UKP5Y

CAS number

Not Available

Weight

Average: 292.2112
Monoisotopic: 292.067091465

Chemical Formula

C₁₁H₁₁F₃N₂O₄

InChI Key

YPQLFJODEKMJEF-UHFFFAOYSA-N

InChI

InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)

IUPAC Name

2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanimidic acid

SMILES

CC(C)(O)C(O)=NC1=CC(=C(C=C1)N(=O)=O)C(F)(F)F

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a4i-9050000000-f84e588ae9034a41b2dc

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	164.5296707	predicted	DarkChem Lite v0.1.0
[M-H]-	163.8509707	predicted	DarkChem Lite v0.1.0
[M-H]-	160.5529	predicted	DeepCCS 1.0 (2019)
[M+H]+	164.3600707	predicted	DarkChem Lite v0.1.0
[M+H]+	163.9718707	predicted	DarkChem Lite v0.1.0
[M+H]+	162.9109	predicted	DeepCCS 1.0 (2019)
[M+Na]+	163.6316707	predicted	DarkChem Lite v0.1.0
[M+Na]+	162.9697707	predicted	DarkChem Lite v0.1.0
[M+Na]+	169.81557	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties