CID 6434434

Benzofuran, 4,7-dimethoxy-5-(p-methoxycinnamoyl)-6-(2-pyrrolidinylethoxy)-, oxalate

Structural Information

Molecular Formula
C26H29NO6
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCCN4CCCC4)OC)OC=C3)OC
InChI
InChI=1S/C26H29NO6/c1-29-19-9-6-18(7-10-19)8-11-21(28)22-23(30-2)20-12-16-32-24(20)26(31-3)25(22)33-17-15-27-13-4-5-14-27/h6-12,16H,4-5,13-15,17H2,1-3H3/b11-8+
InChIKey
LQDLBDQZISGLMX-DHZHZOJOSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1995 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.20678 209.1
[M+Na]+ 474.18872 215.4
[M-H]- 450.19222 219.4
[M+NH4]+ 469.23332 219.5
[M+K]+ 490.16266 212.7
[M+H-H2O]+ 434.19676 200.3
[M+HCOO]- 496.19770 228.6
[M+CH3COO]- 510.21335 231.2
[M+Na-2H]- 472.17417 205.9
[M]+ 451.19895 217.9
[M]- 451.20005 217.9
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.