CID 5282411

Epoprostenol

Structural Information

Molecular Formula
C20H32O5
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O)O
InChI
InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1
InChIKey
KAQKFAOMNZTLHT-OZUDYXHBSA-N
Compound name
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

13420
References

55746
Patents

352.22498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23226 189.4
[M+Na]+ 375.21420 192.9
[M+NH4]+ 370.25880 193.0
[M+K]+ 391.18814 192.9
[M-H]- 351.21770 187.1
[M+Na-2H]- 373.19965 184.1
[M]+ 352.22443 188.4
[M]- 352.22553 188.4
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