CID 84347

3-aminobenzanilide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

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

InChI

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

InChIKey

KPSPULPPMWHXGE-UHFFFAOYSA-N

Compound name

3-amino-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 396
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]+	213.102236	145.9
[M+Na]+	235.084178	152.3
[M-H]-	211.087684	152.3
[M+NH4]+	230.128783	163.4
[M+K]+	251.058118	148.6
[M+H-H2O]+	195.092220	138.4
[M+HCOO]-	257.093161	171.6
[M+CH3COO]-	271.108811	190.8
[M+Na-2H]-	233.069626	152.4
[M]+	212.09441142	142.7
[M]-	212.09550858	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe