CID 35028403

13,14-dihydro-15-keto prostaglandin d1

Structural Information

Molecular Formula
C20H34O5
SMILES
CCCCCC(=O)CC[C@@H]1[C@H]([C@H](CC1=O)O)CCCCCCC(=O)O
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-18,22H,2-14H2,1H3,(H,24,25)/t16-,17-,18+/m1/s1
InChIKey
WTCAXDJXNVRHRC-KURKYZTESA-N
Compound name
7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.24063 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24791 190.4
[M+Na]+ 377.22985 192.7
[M-H]- 353.23335 189.3
[M+NH4]+ 372.27445 203.7
[M+K]+ 393.20379 188.8
[M+H-H2O]+ 337.23789 184.2
[M+HCOO]- 399.23883 205.5
[M+CH3COO]- 413.25448 213.0
[M+Na-2H]- 375.21530 183.7
[M]+ 354.24008 193.3
[M]- 354.24118 193.3
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

patents stripe