3'-hydroxystanozolol (C21H32N2O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NNC5=O)C

InChI

InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1

InChIKey

SWPAIUOYLTYQKK-YEZTZDHTSA-N

Compound name

(1S,2S,10S,13R,14S,17S,18S)-17-hydroxy-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icos-4(8)-en-5-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]+	345.253646	188.2
[M+Na]+	367.235588	195.5
[M-H]-	343.239094	187.7
[M+NH4]+	362.280193	210.4
[M+K]+	383.209528	186.8
[M+H-H2O]+	327.243630	180.9
[M+HCOO]-	389.244571	192.2
[M+CH3COO]-	403.260221	195.3
[M+Na-2H]-	365.221036	186.9
[M]+	344.24582142	179.9
[M]-	344.24691858	179.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.253646

188.2

[M+Na]+

367.235588

195.5

[M-H]-

343.239094

187.7

[M+NH4]+

362.280193

210.4

[M+K]+

383.209528

186.8

[M+H-H2O]+

327.243630

180.9

[M+HCOO]-

389.244571

192.2

[M+CH3COO]-

403.260221

195.3

[M+Na-2H]-

365.221036

186.9

[M]+

344.24582142

179.9

[M]-

344.24691858

179.9

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

3'-hydroxystanozolol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe