CID 5283119

Prostaglandin e2 ethanolamide

Structural Information

Molecular Formula
C22H37NO5
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCO)O)O
InChI
InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21+/m0/s1
InChIKey
GKKWUSPPIQURFM-IGDGGSTLSA-N
Compound name
(Z)-N-(2-hydroxyethyl)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

182
Patents

395.26718 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.27446 202.5
[M+Na]+ 418.25640 205.0
[M+NH4]+ 413.30100 204.0
[M+K]+ 434.23034 202.5
[M-H]- 394.25990 198.6
[M+Na-2H]- 416.24185 197.9
[M]+ 395.26663 200.7
[M]- 395.26773 200.7
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

patents stripe