PubChemLite - Prostanozol (C25H38N2O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4CCCCO4)CC[C@@H]5[C@@]3(CC6=C(C5)NN=C6)C

InChI

InChI=1S/C25H38N2O2/c1-24-11-10-20-18(19(24)8-9-22(24)29-23-5-3-4-12-28-23)7-6-17-13-21-16(15-26-27-21)14-25(17,20)2/h15,17-20,22-23H,3-14H2,1-2H3,(H,26,27)/t17-,18-,19-,20-,22-,23?,24-,25-/m0/s1

InChIKey

AGJAMJZFPDQSEW-KOTDIDPQSA-N

Compound name

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

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]+	399.30061	200.1
[M+Na]+	421.28255	202.1
[M-H]-	397.28605	203.5
[M+NH4]+	416.32715	216.6
[M+K]+	437.25649	195.8
[M+H-H2O]+	381.29059	189.3
[M+HCOO]-	443.29153	201.5
[M+CH3COO]-	457.30718	205.2
[M+Na-2H]-	419.26800	195.2
[M]+	398.29278	189.4
[M]-	398.29388	189.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

399.30061

200.1

[M+Na]+

421.28255

202.1

[M-H]-

397.28605

203.5

[M+NH4]+

416.32715

216.6

[M+K]+

437.25649

195.8

[M+H-H2O]+

381.29059

189.3

[M+HCOO]-

443.29153

201.5

[M+CH3COO]-

457.30718

205.2

[M+Na-2H]-

419.26800

195.2

[M]+

398.29278

189.4

[M]-

398.29388

189.4

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

Prostanozol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe