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]+ 297.112136 168.0
[M+Na]+ 319.094078 175.2
[M-H]- 295.097584 172.2
[M+NH4]+ 314.138683 181.9
[M+K]+ 335.068018 169.8
[M+H-H2O]+ 279.102120 160.6
[M+HCOO]- 341.103061 188.4
[M+CH3COO]- 355.118711 198.0
[M+Na-2H]- 317.079526 169.7
[M]+ 296.10431142 168.8
[M]- 296.10540858 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.