CID 131752987

1-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 168.0
[M+Na]+ 319.09408 175.2
[M-H]- 295.09758 172.2
[M+NH4]+ 314.13868 181.9
[M+K]+ 335.06802 169.8
[M+H-H2O]+ 279.10212 160.6
[M+HCOO]- 341.10306 188.4
[M+CH3COO]- 355.11871 198.0
[M+Na-2H]- 317.07953 169.7
[M]+ 296.10431 168.8
[M]- 296.10541 168.8
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.