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 194.9
[M+Na]+ 397.23492 199.8
[M-H]- 373.23842 194.5
[M+NH4]+ 392.27952 206.5
[M+K]+ 413.20886 193.3
[M+H-H2O]+ 357.24296 187.5
[M+HCOO]- 419.24390 213.1
[M+CH3COO]- 433.25955 217.4
[M+Na-2H]- 395.22037 192.1
[M]+ 374.24515 201.2
[M]- 374.24625 201.2
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.