CID 643766

Chembl463022

Structural Information

Molecular Formula
C23H34O4
SMILES
COC1=CC(=C(C(=C1O)CCCCCCC/C=C\C/C=C\CC=C)O)OC
InChI
InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20(26-2)18-21(27-3)23(19)25/h4,6-7,9-10,18,24-25H,1,5,8,11-17H2,2-3H3/b7-6-,10-9-
InChIKey
PIAHTJGIQDTXBU-HZJYTTRNSA-N
Compound name
4,6-dimethoxy-2-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

374.2457 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.25298 196.7
[M+Na]+ 397.23492 206.5
[M+NH4]+ 392.27952 200.7
[M+K]+ 413.20886 198.3
[M-H]- 373.23842 195.9
[M+Na-2H]- 395.22037 197.5
[M]+ 374.24515 197.5
[M]- 374.24625 197.5
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.