CID 846184

1571-99-9

Structural Information

Molecular Formula

C₁₂H₁₀N₄

SMILES

C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)N

InChI

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

InChIKey

PZIMYJGAHSBALP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 16
Patents: 210.09055 Da
Monoisotopic Mass: 1.4
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	144.2
[M+Na]+	233.07977	159.4
[M+NH4]+	228.12437	152.6
[M+K]+	249.05371	153.8
[M-H]-	209.08327	147.9
[M+Na-2H]-	231.06522	153.6
[M]+	210.09000	147.3
[M]-	210.09110	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe