CID 5283443

Chembl120788

Structural Information

Molecular Formula
C26H44FNO
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChI
InChI=1S/C26H44FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2)26(29)28-24-23-27/h10-11,13-14,16-17,19-20,25H,3-9,12,15,18,21-24H2,1-2H3,(H,28,29)/b11-10-,14-13-,17-16-,20-19-
InChIKey
GHGKPXOUKZEHPZ-AILJCPQKSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.3407 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.34798 212.7
[M+Na]+ 428.32992 212.2
[M-H]- 404.33342 208.2
[M+NH4]+ 423.37452 218.1
[M+K]+ 444.30386 204.6
[M+H-H2O]+ 388.33796 203.7
[M+HCOO]- 450.33890 227.7
[M+CH3COO]- 464.35455 230.7
[M+Na-2H]- 426.31537 206.5
[M]+ 405.34015 215.8
[M]- 405.34125 215.8
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.