PubChemLite - Pgf2alpha-ea (C22H39NO5)

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)NCCO)O)O)O

InChI

InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1

InChIKey

XCVCLIRZZCGEMU-WLOFLUCMSA-N

Compound name

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N-(2-hydroxyethyl)hept-5-enamide

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]+	398.29012	203.4
[M+Na]+	420.27206	205.4
[M+NH4]+	415.31666	204.9
[M+K]+	436.24600	203.3
[M-H]-	396.27556	199.3
[M+Na-2H]-	418.25751	198.4
[M]+	397.28229	201.5
[M]-	397.28339	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

398.29012

203.4

[M+Na]+

420.27206

205.4

[M+NH4]+

415.31666

204.9

[M+K]+

436.24600

203.3

[M-H]-

396.27556

199.3

[M+Na-2H]-

418.25751

198.4

[M]+

397.28229

201.5

[M]-

397.28339

201.5

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

Pgf2alpha-ea

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe