CID 6445902

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

Structural Information

Molecular Formula
C21H18O8
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCC(=O)O)C(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C21H18O8/c1-26-18-14-9-10-28-19(14)21(27-2)20(29-11-16(24)25)17(18)15(23)8-5-12-3-6-13(22)7-4-12/h3-10,22H,11H2,1-2H3,(H,24,25)/b8-5+
InChIKey
XIDRHVRUBSKXTF-VMPITWQZSA-N
Compound name
2-[[5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.10016 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.10744 189.1
[M+Na]+ 421.08938 197.3
[M-H]- 397.09288 195.8
[M+NH4]+ 416.13398 200.1
[M+K]+ 437.06332 195.6
[M+H-H2O]+ 381.09742 181.6
[M+HCOO]- 443.09836 208.9
[M+CH3COO]- 457.11401 217.8
[M+Na-2H]- 419.07483 189.6
[M]+ 398.09961 198.4
[M]- 398.10071 198.4
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.