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]+ 332.06841 174.0
[M+Na]+ 354.05035 184.9
[M-H]- 330.05385 183.5
[M+NH4]+ 349.09495 190.4
[M+K]+ 370.02429 181.3
[M+H-H2O]+ 314.05839 167.4
[M+HCOO]- 376.05933 194.8
[M+CH3COO]- 390.07498 209.3
[M+Na-2H]- 352.03580 178.5
[M]+ 331.06058 183.3
[M]- 331.06168 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.