CID 5646441

Chembl2332163

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)/C=C(/C2=CC=CC=C2O)\O
InChI
InChI=1S/C17H14O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-12,19-20H/b11-10+,17-12-
InChIKey
ZGWZOJSNUZKJIX-ATRNFBLSSA-N
Compound name
(1Z,4E)-1-hydroxy-1-(2-hydroxyphenyl)-5-phenylpenta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

266.0943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 161.3
[M+Na]+ 289.08352 167.0
[M-H]- 265.08702 165.0
[M+NH4]+ 284.12812 175.8
[M+K]+ 305.05746 161.6
[M+H-H2O]+ 249.09156 154.2
[M+HCOO]- 311.09250 180.9
[M+CH3COO]- 325.10815 191.3
[M+Na-2H]- 287.06897 163.7
[M]+ 266.09375 158.9
[M]- 266.09485 158.9
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.