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 193.5
[M+Na]+ 435.10502 201.7
[M-H]- 411.10852 201.4
[M+NH4]+ 430.14962 204.7
[M+K]+ 451.07896 200.7
[M+H-H2O]+ 395.11306 185.6
[M+HCOO]- 457.11400 214.5
[M+CH3COO]- 471.12965 222.8
[M+Na-2H]- 433.09047 194.0
[M]+ 412.11525 205.0
[M]- 412.11635 205.0
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.