CID 6445901

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

Structural Information

Molecular Formula
C22H20O8
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCC(=O)O)OC)OC=C3)OC
InChI
InChI=1S/C22H20O8/c1-26-14-7-4-13(5-8-14)6-9-16(23)18-19(27-2)15-10-11-29-20(15)22(28-3)21(18)30-12-17(24)25/h4-11H,12H2,1-3H3,(H,24,25)/b9-6+
InChIKey
YDNGNKVTVZSLGG-RMKNXTFCSA-N
Compound name
2-[[4,7-dimethoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1158 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12308 194.0
[M+Na]+ 435.10502 206.2
[M+NH4]+ 430.14962 198.0
[M+K]+ 451.07896 203.6
[M-H]- 411.10852 196.2
[M+Na-2H]- 433.09047 197.2
[M]+ 412.11525 196.1
[M]- 412.11635 196.1
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.