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]+ 353.23226 190.5
[M+Na]+ 375.21420 192.5
[M-H]- 351.21770 188.1
[M+NH4]+ 370.25880 203.0
[M+K]+ 391.18814 187.6
[M+H-H2O]+ 335.22224 184.0
[M+HCOO]- 397.22318 205.6
[M+CH3COO]- 411.23883 208.3
[M+Na-2H]- 373.19965 184.7
[M]+ 352.22443 192.4
[M]- 352.22553 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.