CID 898010

N-(1h-benzimidazol-2-yl)-3-chlorobenzamide

Structural Information

Molecular Formula
C14H10ClN3O
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H10ClN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19)
InChIKey
NNOLHIYETJFEDS-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

271.05124 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05852 157.8
[M+Na]+ 294.04046 168.1
[M-H]- 270.04396 162.1
[M+NH4]+ 289.08506 174.1
[M+K]+ 310.01440 160.9
[M+H-H2O]+ 254.04850 149.8
[M+HCOO]- 316.04944 175.8
[M+CH3COO]- 330.06509 169.8
[M+Na-2H]- 292.02591 164.2
[M]+ 271.05069 159.4
[M]- 271.05179 159.4
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

patents stripe