PubChemLite - Mesterolone (C20H32O2)

Structural Information

Molecular Formula

SMILES

C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C

InChI

InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1

InChIKey

UXYRZJKIQKRJCF-TZPFWLJSSA-N

Compound name

(1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[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]+	305.24751	177.4
[M+Na]+	327.22945	186.0
[M+NH4]+	322.27405	190.1
[M+K]+	343.20339	176.6
[M-H]-	303.23295	179.9
[M+Na-2H]-	325.21490	178.7
[M]+	304.23968	179.5
[M]-	304.24078	179.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

305.24751

177.4

[M+Na]+

327.22945

186.0

[M+NH4]+

322.27405

190.1

[M+K]+

343.20339

176.6

[M-H]-

303.23295

179.9

[M+Na-2H]-

325.21490

178.7

[M]+

304.23968

179.5

[M]-

304.24078

179.5

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

Mesterolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe