CID 2386123

568544-06-9

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H14N2O/c1-11-6-8-12(9-7-11)15(19)10-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)
InChIKey
DHTWLFZXAYBQAC-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.7
[M+Na]+ 273.099828 166.2
[M-H]- 249.103334 161.0
[M+NH4]+ 268.144433 173.3
[M+K]+ 289.073768 160.2
[M+H-H2O]+ 233.107870 148.4
[M+HCOO]- 295.108811 177.7
[M+CH3COO]- 309.124461 168.9
[M+Na-2H]- 271.085276 161.9
[M]+ 250.11006142 157.5
[M]- 250.11115858 157.5
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

No patent data available for this compound.