CID 5283037

Prostaglandin k2

Structural Information

Molecular Formula
C20H30O5
SMILES
CCCCC[C@@H](/C=C/[C@@H]1[C@H](C(=O)CC1=O)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H30O5/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/h4,7,12-13,15-17,21H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+/m0/s1
InChIKey
LGMXPVXJSFPPTQ-DJUJBXLVSA-N
Compound name
(Z)-7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-3,5-dioxocyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

350.20932 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.216596 187.8
[M+Na]+ 373.198538 190.9
[M-H]- 349.202044 187.0
[M+NH4]+ 368.243143 201.3
[M+K]+ 389.172478 185.8
[M+H-H2O]+ 333.206580 181.9
[M+HCOO]- 395.207521 203.4
[M+CH3COO]- 409.223171 210.2
[M+Na-2H]- 371.183986 181.2
[M]+ 350.20877142 189.2
[M]- 350.20986858 189.2
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.