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]+ 251.11789 156.7
[M+Na]+ 273.09983 166.2
[M-H]- 249.10333 161.0
[M+NH4]+ 268.14443 173.3
[M+K]+ 289.07377 160.2
[M+H-H2O]+ 233.10787 148.4
[M+HCOO]- 295.10881 177.7
[M+CH3COO]- 309.12446 168.9
[M+Na-2H]- 271.08528 161.9
[M]+ 250.11006 157.5
[M]- 250.11116 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.