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]+ 350.04576 176.3
[M+Na]+ 372.02770 187.5
[M-H]- 348.03120 180.2
[M+NH4]+ 367.07230 190.3
[M+K]+ 388.00164 179.8
[M+H-H2O]+ 332.03574 168.7
[M+HCOO]- 394.03668 188.6
[M+CH3COO]- 408.05233 187.1
[M+Na-2H]- 370.01315 179.4
[M]+ 349.03793 182.0
[M]- 349.03903 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.