CID 23426967

1-(2,6-dihydroxy-4-methoxyphenyl)-6z,9z,12z,15z-octade-catetraen-1-one

Structural Information

Molecular Formula
C25H34O4
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)C1=C(C=C(C=C1O)OC)O
InChI
InChI=1S/C25H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-23(27)19-21(29-2)20-24(25)28/h4-5,7-8,10-11,13-14,19-20,27-28H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
InChIKey
ZVJQMVACQOETOP-GJDCDIHCSA-N
Compound name
(6Z,9Z,12Z,15Z)-1-(2,6-dihydroxy-4-methoxyphenyl)octadeca-6,9,12,15-tetraen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2457 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.25298 202.1
[M+Na]+ 421.23492 205.7
[M-H]- 397.23842 201.1
[M+NH4]+ 416.27952 212.2
[M+K]+ 437.20886 198.0
[M+H-H2O]+ 381.24296 194.4
[M+HCOO]- 443.24390 219.1
[M+CH3COO]- 457.25955 220.1
[M+Na-2H]- 419.22037 197.7
[M]+ 398.24515 206.5
[M]- 398.24625 206.5
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.