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]+ 355.08122 178.0
[M+Na]+ 377.06316 185.2
[M-H]- 353.06666 185.7
[M+NH4]+ 372.10776 188.9
[M+K]+ 393.03710 182.7
[M+H-H2O]+ 337.07120 170.9
[M+HCOO]- 399.07214 195.8
[M+CH3COO]- 413.08779 206.0
[M+Na-2H]- 375.04861 176.5
[M]+ 354.07339 179.3
[M]- 354.07449 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.