CID 853490

N-(1h-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide

Structural Information

Molecular Formula
C15H12ClN3O2
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H12ClN3O2/c1-21-13-7-6-9(16)8-10(13)14(20)19-15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H2,17,18,19,20)
InChIKey
ORQJJWYENVQNLT-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

301.0618 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06908 165.5
[M+Na]+ 324.05102 176.1
[M-H]- 300.05452 170.1
[M+NH4]+ 319.09562 180.8
[M+K]+ 340.02496 169.5
[M+H-H2O]+ 284.05906 157.5
[M+HCOO]- 346.06000 183.4
[M+CH3COO]- 360.07565 177.3
[M+Na-2H]- 322.03647 170.7
[M]+ 301.06125 169.3
[M]- 301.06235 169.3
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.