CID 52921879

Dinor-pgd2

Structural Information

Molecular Formula
C18H28O5
SMILES
CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CC(=O)O)O
InChI
InChI=1S/C18H28O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-16,19-20H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15+,16-/m0/s1
InChIKey
FZIZOWJGWYHKEL-BVWFDSDTSA-N
Compound name
(Z)-5-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]pent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.19366 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20094 181.8
[M+Na]+ 347.18288 186.5
[M+NH4]+ 342.22748 184.7
[M+K]+ 363.15682 184.5
[M-H]- 323.18638 177.9
[M+Na-2H]- 345.16833 178.5
[M]+ 324.19311 180.5
[M]- 324.19421 180.5
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.