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 171.0
[M+Na]+ 331.09408 177.7
[M-H]- 307.09758 175.1
[M+NH4]+ 326.13868 184.2
[M+K]+ 347.06802 172.1
[M+H-H2O]+ 291.10212 163.6
[M+HCOO]- 353.10306 190.3
[M+CH3COO]- 367.11871 201.2
[M+Na-2H]- 329.07953 171.0
[M]+ 308.10431 170.8
[M]- 308.10541 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.