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 166.9
[M+Na]+ 322.07177 176.3
[M-H]- 298.07527 170.8
[M+NH4]+ 317.11637 182.0
[M+K]+ 338.04571 168.7
[M+H-H2O]+ 282.07981 158.5
[M+HCOO]- 344.08075 184.2
[M+CH3COO]- 358.09640 178.0
[M+Na-2H]- 320.05722 172.2
[M]+ 299.08200 169.2
[M]- 299.08310 169.2
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.