CID 6445905

Acetic acid, ((4,7-dimethoxy-5-(3-(4-propoxyphenyl)-1-oxo-2-propenyl)-6-benzofuranyl)oxy)-

Structural Information

Molecular Formula
C24H24O8
SMILES
CCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCC(=O)O)OC)OC=C3)OC
InChI
InChI=1S/C24H24O8/c1-4-12-30-16-8-5-15(6-9-16)7-10-18(25)20-21(28-2)17-11-13-31-22(17)24(29-3)23(20)32-14-19(26)27/h5-11,13H,4,12,14H2,1-3H3,(H,26,27)/b10-7+
InChIKey
DNDLPPPINYSGKC-JXMROGBWSA-N
Compound name
2-[[4,7-dimethoxy-5-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.14713 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.154406 202.9
[M+Na]+ 463.136348 210.2
[M-H]- 439.139854 210.4
[M+NH4]+ 458.180953 212.9
[M+K]+ 479.110288 208.7
[M+H-H2O]+ 423.144390 194.6
[M+HCOO]- 485.145331 223.1
[M+CH3COO]- 499.160981 228.6
[M+Na-2H]- 461.121796 202.3
[M]+ 440.14658142 215.0
[M]- 440.14767858 215.0
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.