CID 384459

Nsc674261

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O2/c25-20(16-9-3-1-4-10-16)15-24-19-14-8-7-13-18(19)23-22(24)21(26)17-11-5-2-6-12-17/h1-14H,15H2
InChIKey
ZJUAZFQIZDHPIY-UHFFFAOYSA-N
Compound name
2-(2-benzoylbenzimidazol-1-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.1212 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 180.8
[M+Na]+ 363.11042 188.8
[M-H]- 339.11392 189.1
[M+NH4]+ 358.15502 193.2
[M+K]+ 379.08436 182.4
[M+H-H2O]+ 323.11846 170.2
[M+HCOO]- 385.11940 201.5
[M+CH3COO]- 399.13505 191.4
[M+Na-2H]- 361.09587 184.2
[M]+ 340.12065 182.6
[M]- 340.12175 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.