CID 54688608

2(5h)-furanone, 4-hydroxy-3-(4-methoxyphenyl)-5-((4-methoxyphenyl)methylene)-

Structural Information

Molecular Formula
C19H16O5
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=C(C(=O)O2)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C19H16O5/c1-22-14-7-3-12(4-8-14)11-16-18(20)17(19(21)24-16)13-5-9-15(23-2)10-6-13/h3-11,20H,1-2H3/b16-11+
InChIKey
MCVUPPJXBNWGIP-LFIBNONCSA-N
Compound name
(5E)-4-hydroxy-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.107036 173.0
[M+Na]+ 347.088978 182.0
[M-H]- 323.092484 183.2
[M+NH4]+ 342.133583 187.1
[M+K]+ 363.062918 178.9
[M+H-H2O]+ 307.097020 165.5
[M+HCOO]- 369.097961 195.3
[M+CH3COO]- 383.113611 205.0
[M+Na-2H]- 345.074426 174.2
[M]+ 324.09921142 177.0
[M]- 324.10030858 177.0
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.