CID 384458

Nsc674260

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC(C(=O)C1=CC=CC=C1)N2C3=CC=CC=C3N=C2C(=O)C
InChI
InChI=1S/C18H16N2O2/c1-12(17(22)14-8-4-3-5-9-14)20-16-11-7-6-10-15(16)19-18(20)13(2)21/h3-12H,1-2H3
InChIKey
OTGBIUVFSAERSI-UHFFFAOYSA-N
Compound name
2-(2-acetylbenzimidazol-1-yl)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 167.8
[M+Na]+ 315.11042 176.2
[M-H]- 291.11392 173.3
[M+NH4]+ 310.15502 182.9
[M+K]+ 331.08436 171.8
[M+H-H2O]+ 275.11846 159.0
[M+HCOO]- 337.11940 187.9
[M+CH3COO]- 351.13505 203.9
[M+Na-2H]- 313.09587 170.1
[M]+ 292.12065 170.6
[M]- 292.12175 170.6
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.