CID 610783

1724-67-0

Structural Information

Molecular Formula

C₁₂H₁₀N₄

SMILES

C1=CC2=C(C=C1N)NC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C12H10N4/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7H,13H2,(H,15,16)

InChIKey

JMXFPJFOKBVPST-UHFFFAOYSA-N

Compound name

2-pyridin-4-yl-3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 210.09055 Da
Monoisotopic Mass: 1.5
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]+	211.09783	143.7
[M+Na]+	233.07977	154.4
[M-H]-	209.08327	146.7
[M+NH4]+	228.12437	160.2
[M+K]+	249.05371	148.2
[M+H-H2O]+	193.08781	135.0
[M+HCOO]-	255.08875	165.8
[M+CH3COO]-	269.10440	156.4
[M+Na-2H]-	231.06522	152.0
[M]+	210.09000	142.1
[M]-	210.09110	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe