CID 3397

Flutamide

Structural Information

Molecular Formula

C₁₁H₁₁F₃N₂O₃

SMILES

CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)

InChIKey

MKXKFYHWDHIYRV-UHFFFAOYSA-N

Compound name

2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3521
References: 76555
Patents: 276.07217 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.07945	151.8
[M+Na]+	299.06139	159.5
[M+NH4]+	294.10599	155.9
[M+K]+	315.03533	158.9
[M-H]-	275.06489	149.3
[M+Na-2H]-	297.04684	154.5
[M]+	276.07162	151.6
[M]-	276.07272	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe