CID 12863255

N-(1h-benzimidazol-2-yl)-3,5-dichloro-2-ethoxybenzamide

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
CCOC1=C(C=C(C=C1Cl)Cl)C(=O)NC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H13Cl2N3O2/c1-2-23-14-10(7-9(17)8-11(14)18)15(22)21-16-19-12-5-3-4-6-13(12)20-16/h3-8H,2H2,1H3,(H2,19,20,21,22)
InChIKey
ZSYJRRQUQLNWGN-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-3,5-dichloro-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.03848 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.045756 176.3
[M+Na]+ 372.027698 187.5
[M-H]- 348.031204 180.2
[M+NH4]+ 367.072303 190.3
[M+K]+ 388.001638 179.8
[M+H-H2O]+ 332.035740 168.7
[M+HCOO]- 394.036681 188.6
[M+CH3COO]- 408.052331 187.1
[M+Na-2H]- 370.013146 179.4
[M]+ 349.03793142 182.0
[M]- 349.03902858 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.