CID 127037580

Chembl3753780

Structural Information

Molecular Formula
C19H16O7
SMILES
COC1=CC(=CC(=C1O)OC)/C=C\2/C(=C(C(=O)O2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C19H16O7/c1-24-13-7-10(8-14(25-2)17(13)21)9-15-18(22)16(19(23)26-15)11-3-5-12(20)6-4-11/h3-9,20-22H,1-2H3/b15-9-
InChIKey
CFVIAGUROIZONN-DHDCSXOGSA-N
Compound name
(5Z)-4-hydroxy-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(4-hydroxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.0896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09688 178.7
[M+Na]+ 379.07882 188.0
[M-H]- 355.08232 187.0
[M+NH4]+ 374.12342 190.4
[M+K]+ 395.05276 185.0
[M+H-H2O]+ 339.08686 171.7
[M+HCOO]- 401.08780 198.2
[M+CH3COO]- 415.10345 208.0
[M+Na-2H]- 377.06427 178.2
[M]+ 356.08905 182.9
[M]- 356.09015 182.9
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

No patent data available for this compound.