CID 3010969

85561-97-3

Structural Information

Molecular Formula

C₇H₈N₄

SMILES

C1=CC2=C(C=C1N)NC(=N2)N

InChI

InChI=1S/C7H8N4/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H3,9,10,11)

InChIKey

IFNLHIRHJNDMBM-UHFFFAOYSA-N

Compound name

3H-benzimidazole-2,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 113
Patents: 148.07489 Da
Monoisotopic Mass: 0.6
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]+	149.08217	126.2
[M+Na]+	171.06411	138.0
[M+NH4]+	166.10871	134.4
[M+K]+	187.03805	134.6
[M-H]-	147.06761	128.0
[M+Na-2H]-	169.04956	132.5
[M]+	148.07434	128.1
[M]-	148.07544	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe