CID 10475805

Prostamide h2

Structural Information

Molecular Formula
C22H37NO5
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)NCCO)OO2)O
InChI
InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20-16-21(19)28-27-20)10-7-4-5-8-11-22(26)23-14-15-24/h4,7,12-13,17-21,24-25H,2-3,5-6,8-11,14-16H2,1H3,(H,23,26)/b7-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1
InChIKey
GOUQZQORWGWEFM-WLOFLUCMSA-N
Compound name
(Z)-N-(2-hydroxyethyl)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

395.26718 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.27446 202.6
[M+Na]+ 418.25640 205.0
[M+NH4]+ 413.30100 205.6
[M+K]+ 434.23034 204.4
[M-H]- 394.25990 201.3
[M+Na-2H]- 416.24185 195.7
[M]+ 395.26663 201.7
[M]- 395.26773 201.7
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