CID 393006

Nsc694258

Structural Information

Molecular Formula
C17H16ClN3O
SMILES
CC(C1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C17H16ClN3O/c1-12(13-7-3-2-4-8-13)19-16(22)11-21-15-10-6-5-9-14(15)20-17(21)18/h2-10,12H,11H2,1H3,(H,19,22)
InChIKey
YIMHKHSVZDUGDK-UHFFFAOYSA-N
Compound name
2-(2-chlorobenzimidazol-1-yl)-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09818 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10546 171.9
[M+Na]+ 336.08740 180.8
[M-H]- 312.09090 177.1
[M+NH4]+ 331.13200 187.0
[M+K]+ 352.06134 174.4
[M+H-H2O]+ 296.09544 163.0
[M+HCOO]- 358.09638 189.3
[M+CH3COO]- 372.11203 183.1
[M+Na-2H]- 334.07285 175.9
[M]+ 313.09763 175.7
[M]- 313.09873 175.7
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.