CID 6257161

Chembl2332167

Structural Information

Molecular Formula
C18H16O4
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)/C=C(/C2=CC=CC=C2O)\O
InChI
InChI=1S/C18H16O4/c1-22-15-10-7-13(8-11-15)6-9-14(19)12-18(21)16-4-2-3-5-17(16)20/h2-12,20-21H,1H3/b9-6+,18-12-
InChIKey
NETSNZJCYYVAIT-YKYHQJSKSA-N
Compound name
(1Z,4E)-1-hydroxy-1-(2-hydroxyphenyl)-5-(4-methoxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.112136 168.4
[M+Na]+ 319.094078 174.4
[M-H]- 295.097584 172.3
[M+NH4]+ 314.138683 181.9
[M+K]+ 335.068018 169.5
[M+H-H2O]+ 279.102120 161.0
[M+HCOO]- 341.103061 187.9
[M+CH3COO]- 355.118711 197.6
[M+Na-2H]- 317.079526 169.6
[M]+ 296.10431142 168.2
[M]- 296.10540858 168.2
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.