PubChemLite - Prostamine-h2 (C23H39NO4)

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)NCCC)OO2)O

InChI

InChI=1S/C23H39NO4/c1-3-5-8-11-18(25)14-15-20-19(21-17-22(20)28-27-21)12-9-6-7-10-13-23(26)24-16-4-2/h6,9,14-15,18-22,25H,3-5,7-8,10-13,16-17H2,1-2H3,(H,24,26)/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1

InChIKey

NBFLONVHOGNRHY-YNRDDPJXSA-N

Compound name

(Z)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]-N-propylhept-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]+	394.29518	208.7
[M+Na]+	416.27712	209.2
[M-H]-	392.28062	208.9
[M+NH4]+	411.32172	221.4
[M+K]+	432.25106	206.0
[M+H-H2O]+	376.28516	203.1
[M+HCOO]-	438.28610	221.9
[M+CH3COO]-	452.30175	223.7
[M+Na-2H]-	414.26257	204.0
[M]+	393.28735	212.7
[M]-	393.28845	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.29518

208.7

[M+Na]+

416.27712

209.2

[M-H]-

392.28062

208.9

[M+NH4]+

411.32172

221.4

[M+K]+

432.25106

206.0

[M+H-H2O]+

376.28516

203.1

[M+HCOO]-

438.28610

221.9

[M+CH3COO]-

452.30175

223.7

[M+Na-2H]-

414.26257

204.0

[M]+

393.28735

212.7

[M]-

393.28845

212.7

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

Prostamine-h2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe