PubChemLite - Oxendolone (C20H30O2)

Structural Information

Molecular Formula

SMILES

CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1O)C

InChI

InChI=1S/C20H30O2/c1-3-12-11-18-17-6-4-13-10-14(21)5-7-15(13)16(17)8-9-20(18,2)19(12)22/h10,12,15-19,22H,3-9,11H2,1-2H3/t12-,15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

FCKLFGKATYPJPG-SSTBVEFVSA-N

Compound name

(8R,9S,10R,13S,14S,16S,17S)-16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-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]+	303.23186	175.5
[M+Na]+	325.21380	185.1
[M+NH4]+	320.25840	186.9
[M+K]+	341.18774	177.1
[M-H]-	301.21730	178.3
[M+Na-2H]-	323.19925	176.3
[M]+	302.22403	177.7
[M]-	302.22513	177.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

303.23186

175.5

[M+Na]+

325.21380

185.1

[M+NH4]+

320.25840

186.9

[M+K]+

341.18774

177.1

[M-H]-

301.21730

178.3

[M+Na-2H]-

323.19925

176.3

[M]+

302.22403

177.7

[M]-

302.22513

177.7

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

Oxendolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe