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 210.6
[M+Na]+ 478.18362 218.2
[M-H]- 454.18712 220.9
[M+NH4]+ 473.22822 221.5
[M+K]+ 494.15756 218.0
[M+H-H2O]+ 438.19166 201.5
[M+HCOO]- 500.19260 234.1
[M+CH3COO]- 514.20825 240.9
[M+Na-2H]- 476.16907 209.9
[M]+ 455.19385 225.6
[M]- 455.19495 225.6
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.