CID 96733

6504-09-2

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

CC1=NC(=CC=C1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H11N3/c1-9-5-4-8-12(14-9)13-15-10-6-2-3-7-11(10)16-13/h2-8H,1H3,(H,15,16)

InChIKey

XTCNWAFKRSFAFZ-UHFFFAOYSA-N

Compound name

2-(6-methylpyridin-2-yl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19
Patents: 209.09529 Da
Monoisotopic Mass: 2.8
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]+	210.10257	145.2
[M+Na]+	232.08451	161.8
[M+NH4]+	227.12911	154.2
[M+K]+	248.05845	155.3
[M-H]-	208.08801	148.8
[M+Na-2H]-	230.06996	155.1
[M]+	209.09474	148.7
[M]-	209.09584	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe