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]+ 300.089826 166.9
[M+Na]+ 322.071768 176.3
[M-H]- 298.075274 170.8
[M+NH4]+ 317.116373 182.0
[M+K]+ 338.045708 168.7
[M+H-H2O]+ 282.079810 158.5
[M+HCOO]- 344.080751 184.2
[M+CH3COO]- 358.096401 178.0
[M+Na-2H]- 320.057216 172.2
[M]+ 299.08200142 169.2
[M]- 299.08309858 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.