CID 45032

63887-19-4

Structural Information

Molecular Formula

C₁₄H₁₂N₄O

SMILES

C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H12N4O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,15H2,(H2,16,17,18,19)

InChIKey

AAXLOKUTFYXXMQ-UHFFFAOYSA-N

Compound name

4-amino-N-(1H-benzimidazol-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 252.1011 Da
Monoisotopic Mass: 2.1
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]+	253.108376	153.7
[M+Na]+	275.090318	162.4
[M-H]-	251.093824	158.0
[M+NH4]+	270.134923	169.4
[M+K]+	291.064258	156.6
[M+H-H2O]+	235.098360	145.2
[M+HCOO]-	297.099301	177.0
[M+CH3COO]-	311.114951	165.5
[M+Na-2H]-	273.075766	160.5
[M]+	252.10055142	151.7
[M]-	252.10164858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe