PubChemLite - 4beta-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([C@@H]4O)NN=C5)C

InChI

InChI=1S/C21H32N2O2/c1-19-10-12-11-22-23-17(12)18(24)16(19)5-4-13-14(19)6-8-20(2)15(13)7-9-21(20,3)25/h11,13-16,18,24-25H,4-10H2,1-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20+,21+/m1/s1

InChIKey

OCUSYXNRARMJHS-SUVJOWDWSA-N

Compound name

(1S,2R,9R,10R,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-diene-9,17-diol

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]+	345.25365	188.7
[M+Na]+	367.23559	195.6
[M-H]-	343.23909	188.2
[M+NH4]+	362.28019	210.9
[M+K]+	383.20953	187.6
[M+H-H2O]+	327.24363	181.3
[M+HCOO]-	389.24457	192.5
[M+CH3COO]-	403.26022	195.8
[M+Na-2H]-	365.22104	187.3
[M]+	344.24582	181.0
[M]-	344.24692	181.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.25365

188.7

[M+Na]+

367.23559

195.6

[M-H]-

343.23909

188.2

[M+NH4]+

362.28019

210.9

[M+K]+

383.20953

187.6

[M+H-H2O]+

327.24363

181.3

[M+HCOO]-

389.24457

192.5

[M+CH3COO]-

403.26022

195.8

[M+Na-2H]-

365.22104

187.3

[M]+

344.24582

181.0

[M]-

344.24692

181.0

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

4beta-hydroxystanozolol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe