PubChemLite - Prostamide h2 (C22H37NO5)

Structural Information

Molecular Formula

SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)NCCO)OO2)O

InChI

InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20-16-21(19)28-27-20)10-7-4-5-8-11-22(26)23-14-15-24/h4,7,12-13,17-21,24-25H,2-3,5-6,8-11,14-16H2,1H3,(H,23,26)/b7-4-,13-12+/t17-,18+,19+,20-,21+/m0/s1

InChIKey

GOUQZQORWGWEFM-WLOFLUCMSA-N

Compound name

(Z)-N-(2-hydroxyethyl)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]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]+	396.27446	205.9
[M+Na]+	418.25640	206.2
[M-H]-	394.25990	204.9
[M+NH4]+	413.30100	217.8
[M+K]+	434.23034	203.2
[M+H-H2O]+	378.26444	200.5
[M+HCOO]-	440.26538	218.2
[M+CH3COO]-	454.28103	220.7
[M+Na-2H]-	416.24185	201.7
[M]+	395.26663	209.2
[M]-	395.26773	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

396.27446

205.9

[M+Na]+

418.25640

206.2

[M-H]-

394.25990

204.9

[M+NH4]+

413.30100

217.8

[M+K]+

434.23034

203.2

[M+H-H2O]+

378.26444

200.5

[M+HCOO]-

440.26538

218.2

[M+CH3COO]-

454.28103

220.7

[M+Na-2H]-

416.24185

201.7

[M]+

395.26663

209.2

[M]-

395.26773

209.2

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

Prostamide h2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe