PubChemLite - Pgf2alpha dimethyl amide (C22H39NO4)

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)N(C)C)O)O)O

InChI

InChI=1S/C22H39NO4/c1-4-5-8-11-17(24)14-15-19-18(20(25)16-21(19)26)12-9-6-7-10-13-22(27)23(2)3/h6,9,14-15,17-21,24-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1

InChIKey

QGAWKBHDDFBNMX-GWSKAPOCSA-N

Compound name

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N,N-dimethylhept-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]+	382.29518	201.7
[M+Na]+	404.27712	202.3
[M-H]-	380.28062	200.4
[M+NH4]+	399.32172	213.8
[M+K]+	420.25106	198.1
[M+H-H2O]+	364.28516	195.0
[M+HCOO]-	426.28610	216.0
[M+CH3COO]-	440.30175	221.0
[M+Na-2H]-	402.26257	192.9
[M]+	381.28735	202.1
[M]-	381.28845	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

382.29518

201.7

[M+Na]+

404.27712

202.3

[M-H]-

380.28062

200.4

[M+NH4]+

399.32172

213.8

[M+K]+

420.25106

198.1

[M+H-H2O]+

364.28516

195.0

[M+HCOO]-

426.28610

216.0

[M+CH3COO]-

440.30175

221.0

[M+Na-2H]-

402.26257

192.9

[M]+

381.28735

202.1

[M]-

381.28845

202.1

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

Pgf2alpha dimethyl amide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe