CID 893072

5-methyl-2-(4-methylphenyl)-1h-benzimidazole

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.122966 149.5
[M+Na]+ 245.104908 160.7
[M-H]- 221.108414 154.3
[M+NH4]+ 240.149513 167.9
[M+K]+ 261.078848 154.4
[M+H-H2O]+ 205.112950 141.7
[M+HCOO]- 267.113891 171.6
[M+CH3COO]- 281.129541 162.8
[M+Na-2H]- 243.090356 155.8
[M]+ 222.11514142 150.4
[M]- 222.11623858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe