CID 6450734

2,4-pentadien-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-5-phenyl-

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]+ 309.112136 171.0
[M+Na]+ 331.094078 177.7
[M-H]- 307.097584 175.1
[M+NH4]+ 326.138683 184.2
[M+K]+ 347.068018 172.1
[M+H-H2O]+ 291.102120 163.6
[M+HCOO]- 353.103061 190.3
[M+CH3COO]- 367.118711 201.2
[M+Na-2H]- 329.079526 171.0
[M]+ 308.10431142 170.8
[M]- 308.10540858 170.8
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.