CID 6434297

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

Structural Information

Molecular Formula
C24H25NO7
SMILES
CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC4=C(C=C3)OCO4)OC)OC
InChI
InChI=1S/C24H25NO7/c1-25(2)10-12-30-23-20(21(27-3)16-9-11-29-22(16)24(23)28-4)17(26)7-5-15-6-8-18-19(13-15)32-14-31-18/h5-9,11,13H,10,12,14H2,1-4H3/b7-5+
InChIKey
GAEVIUFIBWFTHK-FNORWQNLSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-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

439.16312 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17040 206.5
[M+Na]+ 462.15234 214.1
[M-H]- 438.15584 218.9
[M+NH4]+ 457.19694 217.8
[M+K]+ 478.12628 215.5
[M+H-H2O]+ 422.16038 200.1
[M+HCOO]- 484.16132 227.3
[M+CH3COO]- 498.17697 235.6
[M+Na-2H]- 460.13779 207.1
[M]+ 439.16257 220.0
[M]- 439.16367 220.0
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.