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

literature stripe

Patent stripe

patents stripe