CID 49749

67273-50-1

Structural Information

Molecular Formula

C₁₄H₁₃N₃O

SMILES

CC1=NC(=CC=C1)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C14H13N3O/c1-9-4-3-5-12(15-9)14-16-11-7-6-10(18-2)8-13(11)17-14/h3-8H,1-2H3,(H,16,17)

InChIKey

CIMJKXSIPKLHSY-UHFFFAOYSA-N

Compound name

6-methoxy-2-(6-methyl-2-pyridinyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 239.10587 Da
Monoisotopic Mass: 2.5
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]+	240.113146	153.3
[M+Na]+	262.095088	164.7
[M-H]-	238.098594	156.8
[M+NH4]+	257.139693	169.4
[M+K]+	278.069028	159.0
[M+H-H2O]+	222.103130	144.5
[M+HCOO]-	284.104071	174.4
[M+CH3COO]-	298.119721	166.0
[M+Na-2H]-	260.080536	159.9
[M]+	239.10532142	155.7
[M]-	239.10641858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe