CID 54688608

Brn 1352493

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]+ 325.10704 174.5
[M+Na]+ 347.08898 188.8
[M+NH4]+ 342.13358 181.2
[M+K]+ 363.06292 184.1
[M-H]- 323.09248 180.3
[M+Na-2H]- 345.07443 181.5
[M]+ 324.09921 178.1
[M]- 324.10031 178.1
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.