CID 786430

64262-98-2

Structural Information

Molecular Formula

C₁₃H₁₁N₃

SMILES

CN1C2=CC=CC=C2N=C1C3=CC=NC=C3

InChI

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

InChIKey

JFHRYURGMJNMJG-UHFFFAOYSA-N

Compound name

1-methyl-2-pyridin-4-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 113
Patents: 209.09529 Da
Monoisotopic Mass: 2.0
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	144.6
[M+Na]+	232.08451	161.8
[M+NH4]+	227.12911	154.0
[M+K]+	248.05845	155.0
[M-H]-	208.08801	148.7
[M+Na-2H]-	230.06996	155.2
[M]+	209.09474	148.4
[M]-	209.09584	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe