CID 6145931

Prostaglandin

Structural Information

Molecular Formula
C23H34O5
SMILES
CCCCCC(/C=C/C1C=CC(=O)C1C/C=C/CCCC(=O)OC)OC(=O)C
InChI
InChI=1S/C23H34O5/c1-4-5-8-11-20(28-18(2)24)16-14-19-15-17-22(25)21(19)12-9-6-7-10-13-23(26)27-3/h6,9,14-17,19-21H,4-5,7-8,10-13H2,1-3H3/b9-6+,16-14+
InChIKey
KURMKPDMINCWHJ-GQPVYMKNSA-N
Compound name
methyl (E)-7-[2-[(E)-3-acetyloxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27839
References

0
Patents

390.24063 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.24791 200.0
[M+Na]+ 413.22985 205.6
[M+NH4]+ 408.27445 202.8
[M+K]+ 429.20379 201.8
[M-H]- 389.23335 197.2
[M+Na-2H]- 411.21530 198.0
[M]+ 390.24008 199.3
[M]- 390.24118 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.