CID 54684142

4'-methoxyvulpinic acid

Structural Information

Molecular Formula
C20H16O6
SMILES
COC1=CC=C(C=C1)C2=C(/C(=C(\C3=CC=CC=C3)/C(=O)OC)/OC2=O)O
InChI
InChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16-
InChIKey
KXQKSBAGVQMQSN-VLGSPTGOSA-N
Compound name
methyl (2Z)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0947 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 179.6
[M+Na]+ 375.08392 186.7
[M-H]- 351.08742 189.5
[M+NH4]+ 370.12852 191.9
[M+K]+ 391.05786 184.7
[M+H-H2O]+ 335.09196 171.9
[M+HCOO]- 397.09290 200.0
[M+CH3COO]- 411.10855 209.5
[M+Na-2H]- 373.06937 178.9
[M]+ 352.09415 183.0
[M]- 352.09525 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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