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]+	396.274456	205.9
[M+Na]+	418.256398	206.2
[M-H]-	394.259904	204.9
[M+NH4]+	413.301003	217.8
[M+K]+	434.230338	203.2
[M+H-H2O]+	378.264440	200.5
[M+HCOO]-	440.265381	218.2
[M+CH3COO]-	454.281031	220.7
[M+Na-2H]-	416.241846	201.7
[M]+	395.26663142	209.2
[M]-	395.26772858	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

396.274456

205.9

[M+Na]+

418.256398

206.2

[M-H]-

394.259904

204.9

[M+NH4]+

413.301003

217.8

[M+K]+

434.230338

203.2

[M+H-H2O]+

378.264440

200.5

[M+HCOO]-

440.265381

218.2

[M+CH3COO]-

454.281031

220.7

[M+Na-2H]-

416.241846

201.7

[M]+

395.26663142

209.2

[M]-

395.26772858

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