CID 6445905

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

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]+ 441.15441 202.9
[M+Na]+ 463.13635 210.2
[M-H]- 439.13985 210.4
[M+NH4]+ 458.18095 212.9
[M+K]+ 479.11029 208.7
[M+H-H2O]+ 423.14439 194.6
[M+HCOO]- 485.14533 223.1
[M+CH3COO]- 499.16098 228.6
[M+Na-2H]- 461.12180 202.3
[M]+ 440.14658 215.0
[M]- 440.14768 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.