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]+ 297.11214 168.4
[M+Na]+ 319.09408 174.4
[M-H]- 295.09758 172.3
[M+NH4]+ 314.13868 181.9
[M+K]+ 335.06802 169.5
[M+H-H2O]+ 279.10212 161.0
[M+HCOO]- 341.10306 187.9
[M+CH3COO]- 355.11871 197.6
[M+Na-2H]- 317.07953 169.6
[M]+ 296.10431 168.2
[M]- 296.10541 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.