CID 54675945

Brn 1328768

Structural Information

Molecular Formula
C19H14O6
SMILES
COC(=O)/C(=C\1/C(=C(C(=O)O1)C2=CC=C(C=C2)O)O)/C3=CC=CC=C3
InChI
InChI=1S/C19H14O6/c1-24-18(22)15(11-5-3-2-4-6-11)17-16(21)14(19(23)25-17)12-7-9-13(20)10-8-12/h2-10,20-21H,1H3/b17-15-
InChIKey
IUFHWKYDRRRDHX-ICFOKQHNSA-N
Compound name
methyl (2Z)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07904 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 175.4
[M+Na]+ 361.06826 182.5
[M-H]- 337.07176 184.1
[M+NH4]+ 356.11286 187.6
[M+K]+ 377.04220 179.9
[M+H-H2O]+ 321.07630 168.1
[M+HCOO]- 383.07724 194.6
[M+CH3COO]- 397.09289 204.3
[M+Na-2H]- 359.05371 174.8
[M]+ 338.07849 176.7
[M]- 338.07959 176.7
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.