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 173.0
[M+Na]+ 347.08898 182.0
[M-H]- 323.09248 183.2
[M+NH4]+ 342.13358 187.1
[M+K]+ 363.06292 178.9
[M+H-H2O]+ 307.09702 165.5
[M+HCOO]- 369.09796 195.3
[M+CH3COO]- 383.11361 205.0
[M+Na-2H]- 345.07443 174.2
[M]+ 324.09921 177.0
[M]- 324.10031 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.