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]+	303.231856	175.6
[M+Na]+	325.213798	180.3
[M-H]-	301.217304	178.6
[M+NH4]+	320.258403	196.9
[M+K]+	341.187738	174.3
[M+H-H2O]+	285.221840	169.5
[M+HCOO]-	347.222781	184.9
[M+CH3COO]-	361.238431	184.4
[M+Na-2H]-	323.199246	174.2
[M]+	302.22403142	168.4
[M]-	302.22512858	168.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

303.231856

175.6

[M+Na]+

325.213798

180.3

[M-H]-

301.217304

178.6

[M+NH4]+

320.258403

196.9

[M+K]+

341.187738

174.3

[M+H-H2O]+

285.221840

169.5

[M+HCOO]-

347.222781

184.9

[M+CH3COO]-

361.238431

184.4

[M+Na-2H]-

323.199246

174.2

[M]+

302.22403142

168.4

[M]-

302.22512858

168.4

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