PubChemLite - Ethyltestosterone (C21H32O2)

Structural Information

Molecular Formula

SMILES

CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O

InChI

InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

InChIKey

FGPGANCDNDLUST-CEGNMAFCSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-ethyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

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]+	317.24751	180.6
[M+Na]+	339.22945	189.6
[M+NH4]+	334.27405	194.5
[M+K]+	355.20339	177.9
[M-H]-	315.23295	183.1
[M+Na-2H]-	337.21490	184.2
[M]+	316.23968	183.0
[M]-	316.24078	183.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

317.24751

180.6

[M+Na]+

339.22945

189.6

[M+NH4]+

334.27405

194.5

[M+K]+

355.20339

177.9

[M-H]-

315.23295

183.1

[M+Na-2H]-

337.21490

184.2

[M]+

316.23968

183.0

[M]-

316.24078

183.0

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

Ethyltestosterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe