CID 384455

Nsc674257

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O2/c1-11(21)17-19-14-4-2-3-5-15(14)20(17)10-16(22)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3
InChIKey
AABPSESTZLBZAJ-UHFFFAOYSA-N
Compound name
2-(2-acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 169.8
[M+Na]+ 335.05578 180.6
[M-H]- 311.05928 175.5
[M+NH4]+ 330.10038 185.4
[M+K]+ 351.02972 174.3
[M+H-H2O]+ 295.06382 161.4
[M+HCOO]- 357.06476 186.5
[M+CH3COO]- 371.08041 181.8
[M+Na-2H]- 333.04123 172.5
[M]+ 312.06601 175.4
[M]- 312.06711 175.4
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.