CID 6434295

Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(3-hydroxy-4-methoxycinnamoyl)-, maleate

Structural Information

Molecular Formula
C24H27NO7
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC(=C(C=C3)OC)O)OC)OC
InChI
InChI=1S/C24H27NO7/c1-25(2)11-13-32-23-20(21(29-4)16-10-12-31-22(16)24(23)30-5)17(26)8-6-15-7-9-19(28-3)18(27)14-15/h6-10,12,14,27H,11,13H2,1-5H3/b8-6+
InChIKey
YIFQXHGQWACNOJ-SOFGYWHQSA-N
Compound name
(E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.17874 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.186016 206.0
[M+Na]+ 464.167958 213.6
[M-H]- 440.171464 215.1
[M+NH4]+ 459.212563 216.7
[M+K]+ 480.141898 212.9
[M+H-H2O]+ 424.176000 197.4
[M+HCOO]- 486.176941 228.3
[M+CH3COO]- 500.192591 235.9
[M+Na-2H]- 462.153406 205.4
[M]+ 441.17819142 218.9
[M]- 441.17928858 218.9
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.