PubChemLite - Drostanolone propionate (C23H36O3)

Structural Information

Molecular Formula

SMILES

CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C

InChI

InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1

InChIKey

NOTIQUSPUUHHEH-UXOVVSIBSA-N

Compound name

[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate

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]+	361.27373	191.3
[M+Na]+	383.25567	195.1
[M-H]-	359.25917	194.8
[M+NH4]+	378.30027	212.6
[M+K]+	399.22961	190.0
[M+H-H2O]+	343.26371	185.0
[M+HCOO]-	405.26465	198.7
[M+CH3COO]-	419.28030	219.0
[M+Na-2H]-	381.24112	188.0
[M]+	360.26590	185.7
[M]-	360.26700	185.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

361.27373

191.3

[M+Na]+

383.25567

195.1

[M-H]-

359.25917

194.8

[M+NH4]+

378.30027

212.6

[M+K]+

399.22961

190.0

[M+H-H2O]+

343.26371

185.0

[M+HCOO]-

405.26465

198.7

[M+CH3COO]-

419.28030

219.0

[M+Na-2H]-

381.24112

188.0

[M]+

360.26590

185.7

[M]-

360.26700

185.7

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

Drostanolone propionate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe