CID 52921881

20-hydroxy-pgd2

Structural Information

Molecular Formula
C20H32O6
SMILES
C1[C@@H]([C@@H]([C@H](C1=O)/C=C/[C@H](CCCCCO)O)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-18,21-23H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-/m0/s1
InChIKey
NHVNZXCFDPPHDO-UYFMDZAVSA-N
Compound name
(Z)-7-[(1R,2R,5S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.21988 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22716 192.5
[M+Na]+ 391.20910 194.1
[M-H]- 367.21260 188.7
[M+NH4]+ 386.25370 203.7
[M+K]+ 407.18304 188.7
[M+H-H2O]+ 351.21714 186.5
[M+HCOO]- 413.21808 204.9
[M+CH3COO]- 427.23373 208.6
[M+Na-2H]- 389.19455 185.0
[M]+ 368.21933 192.2
[M]- 368.22043 192.2
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.