CID 72896

3'-aminobenzanilide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)N

InChI

InChI=1S/C13H12N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-9H,14H2,(H,15,16)

InChIKey

IRFCTHNJIWUUJZ-UHFFFAOYSA-N

Compound name

N-(3-aminophenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 318
Patents: 212.09496 Da
Monoisotopic Mass: 1.9
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]+	213.10224	147.7
[M+Na]+	235.08418	160.6
[M+NH4]+	230.12878	156.4
[M+K]+	251.05812	153.5
[M-H]-	211.08768	153.2
[M+Na-2H]-	233.06963	157.4
[M]+	212.09441	151.0
[M]-	212.09551	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe