CID 384460

170031-78-4

Structural Information

Molecular Formula
C22H15ClN2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15ClN2O2/c23-17-12-10-15(11-13-17)20(26)14-25-19-9-5-4-8-18(19)24-22(25)21(27)16-6-2-1-3-7-16/h1-13H,14H2
InChIKey
YTSSBNADZGMOBZ-UHFFFAOYSA-N
Compound name
2-(2-benzoylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

374.0822 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08948 187.8
[M+Na]+ 397.07142 197.4
[M-H]- 373.07492 196.1
[M+NH4]+ 392.11602 199.9
[M+K]+ 413.04536 189.6
[M+H-H2O]+ 357.07946 177.4
[M+HCOO]- 419.08040 203.8
[M+CH3COO]- 433.09605 198.2
[M+Na-2H]- 395.05687 189.9
[M]+ 374.08165 192.4
[M]- 374.08275 192.4
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

No patent data available for this compound.