CID 6434430

Benzofuran, 4,7-dimethoxy-5-(3,4-dimethoxycinnamoyl)-6-(2-dimethylaminoethoxy)-, acetate

Structural Information

Molecular Formula
C25H29NO7
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C25H29NO7/c1-26(2)12-14-33-24-21(22(30-5)17-11-13-32-23(17)25(24)31-6)18(27)9-7-16-8-10-19(28-3)20(15-16)29-4/h7-11,13,15H,12,14H2,1-6H3/b9-7+
InChIKey
ZFEOCXOWEMBZPO-VQHVLOKHSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.1944 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.20168 209.4
[M+Na]+ 478.18362 221.5
[M+NH4]+ 473.22822 213.9
[M+K]+ 494.15756 217.7
[M-H]- 454.18712 213.5
[M+Na-2H]- 476.16907 212.9
[M]+ 455.19385 212.2
[M]- 455.19495 212.2
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.