CID 66859

101-12-2

Structural Information

Molecular Formula

C₁₃H₁₃N₃O

SMILES

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

InChI

InChI=1S/C13H13N3O/c14-10-4-1-3-9(7-10)13(17)16-12-6-2-5-11(15)8-12/h1-8H,14-15H2,(H,16,17)

InChIKey

OMIOAPDWNQGXED-UHFFFAOYSA-N

Compound name

3-amino-N-(3-aminophenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 554
Patents: 227.10587 Da
Monoisotopic Mass: 1.3
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]+	228.11315	151.7
[M+Na]+	250.09509	163.4
[M+NH4]+	245.13969	159.7
[M+K]+	266.06903	157.1
[M-H]-	226.09859	157.3
[M+Na-2H]-	248.08054	160.3
[M]+	227.10532	154.7
[M]-	227.10642	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe