Stenbolone acetate (C22H32O3)

Structural Information

Molecular Formula

SMILES

CC1=C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C)C)CC1=O)C

InChI

InChI=1S/C22H32O3/c1-13-12-22(4)15(11-19(13)24)5-6-16-17-7-8-20(25-14(2)23)21(17,3)10-9-18(16)22/h12,15-18,20H,5-11H2,1-4H3/t15-,16-,17-,18-,20-,21-,22-/m0/s1

InChIKey

FYTLCZSXKONUTF-OIELIUQCSA-N

Compound name

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

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]+	345.242416	185.4
[M+Na]+	367.224358	190.7
[M-H]-	343.227864	189.7
[M+NH4]+	362.268963	207.6
[M+K]+	383.198298	185.7
[M+H-H2O]+	327.232400	179.3
[M+HCOO]-	389.233341	194.8
[M+CH3COO]-	403.248991	215.6
[M+Na-2H]-	365.209806	183.7
[M]+	344.23459142	181.1
[M]-	344.23568858	181.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.242416

185.4

[M+Na]+

367.224358

190.7

[M-H]-

343.227864

189.7

[M+NH4]+

362.268963

207.6

[M+K]+

383.198298

185.7

[M+H-H2O]+

327.232400

179.3

[M+HCOO]-

389.233341

194.8

[M+CH3COO]-

403.248991

215.6

[M+Na-2H]-

365.209806

183.7

[M]+

344.23459142

181.1

[M]-

344.23568858

181.1

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

Stenbolone acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe