CID 126456504

20-hydroxy prostaglandin a1

Structural Information

Molecular Formula
C20H32O5
SMILES
C1=CC(=O)[C@@H]([C@H]1/C=C/[C@H](CCCCCO)O)CCCCCCC(=O)O
InChI
InChI=1S/C20H32O5/c21-15-7-3-4-8-17(22)13-11-16-12-14-19(23)18(16)9-5-1-2-6-10-20(24)25/h11-14,16-18,21-22H,1-10,15H2,(H,24,25)/b13-11+/t16-,17-,18+/m0/s1
InChIKey
UVENTFXDEXEMMD-OLMSDWHISA-N
Compound name
7-[(1R,2S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.22498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.232256 190.5
[M+Na]+ 375.214198 192.5
[M-H]- 351.217704 188.1
[M+NH4]+ 370.258803 203.0
[M+K]+ 391.188138 187.6
[M+H-H2O]+ 335.222240 184.0
[M+HCOO]- 397.223181 205.6
[M+CH3COO]- 411.238831 208.3
[M+Na-2H]- 373.199646 184.7
[M]+ 352.22443142 192.4
[M]- 352.22552858 192.4
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

No patent data available for this compound.