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 207.3
[M+Na]+ 426.24372 208.0
[M-H]- 402.24722 207.8
[M+NH4]+ 421.28832 220.1
[M+K]+ 442.21766 199.9
[M+H-H2O]+ 386.25176 199.4
[M+HCOO]- 448.25270 221.0
[M+CH3COO]- 462.26835 223.3
[M+Na-2H]- 424.22917 199.5
[M]+ 403.25395 210.0
[M]- 403.25505 210.0
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