CID 384454

Nsc674256

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2/c1-12(20)17-18-14-9-5-6-10-15(14)19(17)11-16(21)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKey
FKGQXFATCKEKIR-UHFFFAOYSA-N
Compound name
2-(2-acetylbenzimidazol-1-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.4
[M+Na]+ 301.09475 172.6
[M-H]- 277.09825 169.0
[M+NH4]+ 296.13935 179.2
[M+K]+ 317.06869 167.9
[M+H-H2O]+ 261.10279 154.6
[M+HCOO]- 323.10373 184.9
[M+CH3COO]- 337.11938 175.5
[M+Na-2H]- 299.08020 167.4
[M]+ 278.10498 166.4
[M]- 278.10608 166.4
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.