CID 725650

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C19H19NO4
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=CC=CC=C3O2)OC
InChI
InChI=1S/C19H19NO4/c1-22-16-8-7-13(11-17(16)23-2)9-10-20-19(21)18-12-14-5-3-4-6-15(14)24-18/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKey
ICGLDNFIXLBXNV-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

325.1314 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 175.5
[M+Na]+ 348.120618 183.8
[M-H]- 324.124124 184.5
[M+NH4]+ 343.165223 190.9
[M+K]+ 364.094558 181.5
[M+H-H2O]+ 308.128660 167.7
[M+HCOO]- 370.129601 200.3
[M+CH3COO]- 384.145251 210.4
[M+Na-2H]- 346.106066 180.2
[M]+ 325.13085142 182.7
[M]- 325.13194858 182.7
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

patents stripe