CID 6450734

Brn 5346336

Structural Information

Molecular Formula
C19H16O4
SMILES
CC(=O)C1=CC(=C(C=C1O)O)C(=O)/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H16O4/c1-13(20)15-11-16(19(23)12-18(15)22)17(21)10-6-5-9-14-7-3-2-4-8-14/h2-12,22-23H,1H3/b9-5+,10-6+
InChIKey
XQGJGIHVARYARV-NXZHAISVSA-N
Compound name
(2E,4E)-1-(5-acetyl-2,4-dihydroxyphenyl)-5-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.10486 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 172.7
[M+Na]+ 331.09408 185.3
[M+NH4]+ 326.13868 178.2
[M+K]+ 347.06802 178.9
[M-H]- 307.09758 174.4
[M+Na-2H]- 329.07953 178.3
[M]+ 308.10431 174.7
[M]- 308.10541 174.7
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.