PubChemLite - Pgf2alpha isopropyl ester (C23H40O5)

Structural Information

Molecular Formula

SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O)O

InChI

InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-22,24-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1

InChIKey

FPABVZYYTCHNMK-YNRDDPJXSA-N

Compound name

propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	397.29485	203.7
[M+Na]+	419.27679	207.0
[M+NH4]+	414.32139	205.8
[M+K]+	435.25073	204.7
[M-H]-	395.28029	199.7
[M+Na-2H]-	417.26224	198.9
[M]+	396.28702	202.2
[M]-	396.28812	202.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.29485

203.7

[M+Na]+

419.27679

207.0

[M+NH4]+

414.32139

205.8

[M+K]+

435.25073

204.7

[M-H]-

395.28029

199.7

[M+Na-2H]-

417.26224

198.9

[M]+

396.28702

202.2

[M]-

396.28812

202.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pgf2alpha isopropyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe