CID 4072355

162756-62-9

Structural Information

Molecular Formula
C22H15ClN2O
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C(=O)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H15ClN2O/c23-21(26)17-11-13-18(14-12-17)22-24-19(15-7-3-1-4-8-15)20(25-22)16-9-5-2-6-10-16/h1-14H,(H,24,25)
InChIKey
PHMRAWURTKPWFB-UHFFFAOYSA-N
Compound name
4-(4,5-diphenyl-1H-imidazol-2-yl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

11
Patents

358.08728 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09456 186.2
[M+Na]+ 381.07650 204.5
[M+NH4]+ 376.12110 194.8
[M+K]+ 397.05044 195.9
[M-H]- 357.08000 193.9
[M+Na-2H]- 379.06195 198.8
[M]+ 358.08673 191.6
[M]- 358.08783 191.6
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