CID 5283440

Chembl331420

Structural Information

Molecular Formula
C26H44FNO
SMILES
CCCCCCC(C)/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChI
InChI=1S/C26H44FNO/c1-4-5-6-16-19-24(2)20-17-14-12-10-8-7-9-11-13-15-18-21-25(3)26(29)28-23-22-27/h7,9-10,12-13,15,17,20,24-25H,4-6,8,11,14,16,18-19,21-23H2,1-3H3,(H,28,29)/b9-7-,12-10-,15-13-,20-17-
InChIKey
RAMPXDRFGKYVNF-DOOWINBVSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16-dimethyldocosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.3407 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.34798 213.6
[M+Na]+ 428.32992 212.9
[M-H]- 404.33342 209.1
[M+NH4]+ 423.37452 218.8
[M+K]+ 444.30386 205.8
[M+H-H2O]+ 388.33796 204.7
[M+HCOO]- 450.33890 224.5
[M+CH3COO]- 464.35455 231.4
[M+Na-2H]- 426.31537 206.1
[M]+ 405.34015 216.0
[M]- 405.34125 216.0
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.