CID 6434313

Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-propoxycinnamoyl)-, oxalate

Structural Information

Molecular Formula
C26H31NO6
SMILES
CCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCCN(C)C)OC)OC=C3)OC
InChI
InChI=1S/C26H31NO6/c1-6-15-31-19-10-7-18(8-11-19)9-12-21(28)22-23(29-4)20-13-16-32-24(20)26(30-5)25(22)33-17-14-27(2)3/h7-13,16H,6,14-15,17H2,1-5H3/b12-9+
InChIKey
MVKUHFZDGKGFBF-FMIVXFBMSA-N
Compound name
(E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-propoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.21515 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.22243 211.1
[M+Na]+ 476.20437 223.3
[M+NH4]+ 471.24897 216.1
[M+K]+ 492.17831 218.4
[M-H]- 452.20787 215.7
[M+Na-2H]- 474.18982 215.1
[M]+ 453.21460 214.1
[M]- 453.21570 214.1
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.