PubChemLite - Dihydrotestosterone propionate (C22H34O3)

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(CCC(=O)C4)C)C

InChI

InChI=1S/C22H34O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h14,16-19H,4-13H2,1-3H3/t14-,16-,17-,18-,19-,21-,22-/m0/s1

InChIKey

XTAARPJDFFXHGH-GRPBBMKTSA-N

Compound name

[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-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]+	347.25808	187.9
[M+Na]+	369.24002	191.2
[M-H]-	345.24352	191.3
[M+NH4]+	364.28462	209.5
[M+K]+	385.21396	186.3
[M+H-H2O]+	329.24806	181.4
[M+HCOO]-	391.24900	195.7
[M+CH3COO]-	405.26465	214.8
[M+Na-2H]-	367.22547	185.6
[M]+	346.25025	181.6
[M]-	346.25135	181.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

347.25808

187.9

[M+Na]+

369.24002

191.2

[M-H]-

345.24352

191.3

[M+NH4]+

364.28462

209.5

[M+K]+

385.21396

186.3

[M+H-H2O]+

329.24806

181.4

[M+HCOO]-

391.24900

195.7

[M+CH3COO]-

405.26465

214.8

[M+Na-2H]-

367.22547

185.6

[M]+

346.25025

181.6

[M]-

346.25135

181.6

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

Dihydrotestosterone propionate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe