CID 6446978

Arachidonoylhomocysteine thiolactone amide

Structural Information

Molecular Formula
C24H37NO2S
SMILES
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC1CCSC1=O
InChI
InChI=1S/C24H37NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22-20-21-28-24(22)27/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,25,26)/b7-6+,10-9+,13-12+,16-15+
InChIKey
FYUGSOKFVCPYEN-CGRWFSSPSA-N
Compound name
(5E,8E,11E,14E)-N-(2-oxothiolan-3-yl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

403.2545 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.26178 209.0
[M+Na]+ 426.24372 213.3
[M+NH4]+ 421.28832 213.0
[M+K]+ 442.21766 204.2
[M-H]- 402.24722 208.0
[M+Na-2H]- 424.22917 206.9
[M]+ 403.25395 209.1
[M]- 403.25505 209.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe