CID 2357237

2-(1h-1,3-benzodiazol-2-yl)-n-[(4-chlorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C16H14ClN3O
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H14ClN3O/c17-12-7-5-11(6-8-12)10-18-16(21)9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKey
RTCFXNNUEWWHMM-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.08255 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08983 167.3
[M+Na]+ 322.07177 182.2
[M+NH4]+ 317.11637 175.4
[M+K]+ 338.04571 175.5
[M-H]- 298.07527 171.0
[M+Na-2H]- 320.05722 175.7
[M]+ 299.08200 170.7
[M]- 299.08310 170.7
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.