CID 54675944

54805-70-8

Structural Information

Molecular Formula
C19H14O7
SMILES
COC(=O)/C(=C\1/C(=C(C(=O)O1)C2=CC=C(C=C2)O)O)/C3=CC=C(C=C3)O
InChI
InChI=1S/C19H14O7/c1-25-18(23)15(11-4-8-13(21)9-5-11)17-16(22)14(19(24)26-17)10-2-6-12(20)7-3-10/h2-9,20-22H,1H3/b17-15-
InChIKey
SOSJSALYYQBFMJ-ICFOKQHNSA-N
Compound name
methyl (2Z)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07394 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.081216 178.0
[M+Na]+ 377.063158 185.2
[M-H]- 353.066664 185.7
[M+NH4]+ 372.107763 188.9
[M+K]+ 393.037098 182.7
[M+H-H2O]+ 337.071200 170.9
[M+HCOO]- 399.072141 195.8
[M+CH3COO]- 413.087791 206.0
[M+Na-2H]- 375.048606 176.5
[M]+ 354.07339142 179.3
[M]- 354.07448858 179.3
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.