CID 132555865

Chembl5086079

Structural Information

Molecular Formula
C26H34O4
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O
InChI
InChI=1S/C26H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-24(29)26-23(28)18-21(27)19-25(26)30-22/h3-4,6-7,9-10,18-20,27-28H,2,5,8,11-17H2,1H3/b4-3-,7-6-,10-9-
InChIKey
IKWNVUNKYSWMQC-PDBXOOCHSA-N
Compound name
2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.2457 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25298 205.2
[M+Na]+ 433.23492 210.5
[M-H]- 409.23842 206.2
[M+NH4]+ 428.27952 214.8
[M+K]+ 449.20886 203.1
[M+H-H2O]+ 393.24296 196.9
[M+HCOO]- 455.24390 221.4
[M+CH3COO]- 469.25955 223.0
[M+Na-2H]- 431.22037 204.7
[M]+ 410.24515 211.0
[M]- 410.24625 211.0
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.