CID 725646

N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C17H14ClNO4
SMILES
COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3O2)OC)Cl
InChI
InChI=1S/C17H14ClNO4/c1-21-14-9-12(15(22-2)8-11(14)18)19-17(20)16-7-10-5-3-4-6-13(10)23-16/h3-9H,1-2H3,(H,19,20)
InChIKey
RITDXXBMPCGLFR-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

331.06113 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.068406 174.0
[M+Na]+ 354.050348 184.9
[M-H]- 330.053854 183.5
[M+NH4]+ 349.094953 190.4
[M+K]+ 370.024288 181.3
[M+H-H2O]+ 314.058390 167.4
[M+HCOO]- 376.059331 194.8
[M+CH3COO]- 390.074981 209.3
[M+Na-2H]- 352.035796 178.5
[M]+ 331.06058142 183.3
[M]- 331.06167858 183.3
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.