CID 49748

67273-47-6

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC(=N3)C

InChI

InChI=1S/C14H13N3/c1-9-6-7-11-13(8-9)17-14(16-11)12-5-3-4-10(2)15-12/h3-8H,1-2H3,(H,16,17)

InChIKey

OKHWNVWJPUHVKZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 223.11095 Da
Monoisotopic Mass: 2.9
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]+	224.11823	149.9
[M+Na]+	246.10017	166.7
[M+NH4]+	241.14477	158.8
[M+K]+	262.07411	160.1
[M-H]-	222.10367	153.6
[M+Na-2H]-	244.08562	159.3
[M]+	223.11040	153.5
[M]-	223.11150	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe