CID 893072

7118-66-3

Structural Information

Molecular Formula

C₁₅H₁₄N₂

SMILES

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

InChI

InChI=1S/C15H14N2/c1-10-3-6-12(7-4-10)15-16-13-8-5-11(2)9-14(13)17-15/h3-9H,1-2H3,(H,16,17)

InChIKey

OPBSAVHQPYKEQP-UHFFFAOYSA-N

Compound name

6-methyl-2-(4-methylphenyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 222.11569 Da
Monoisotopic Mass: 4.0
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]+	223.12297	149.8
[M+Na]+	245.10491	166.7
[M+NH4]+	240.14951	159.4
[M+K]+	261.07885	159.6
[M-H]-	221.10841	154.4
[M+Na-2H]-	243.09036	159.5
[M]+	222.11514	153.8
[M]-	222.11624	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe