PubChemLite - Mestanolone (C20H32O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C

InChI

InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1

InChIKey

WYZDXEKUWRCKOB-YDSAWKJFSA-N

Compound name

(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-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]+	305.24751	178.1
[M+Na]+	327.22945	186.3
[M+NH4]+	322.27405	192.1
[M+K]+	343.20339	175.1
[M-H]-	303.23295	180.4
[M+Na-2H]-	325.21490	180.9
[M]+	304.23968	180.2
[M]-	304.24078	180.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

305.24751

178.1

[M+Na]+

327.22945

186.3

[M+NH4]+

322.27405

192.1

[M+K]+

343.20339

175.1

[M-H]-

303.23295

180.4

[M+Na-2H]-

325.21490

180.9

[M]+

304.23968

180.2

[M]-

304.24078

180.2

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

Mestanolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe