PubChemLite - Nandrolone sodium sulfate (C18H26O5S)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=CC(=O)CC[C@H]34

InChI

InChI=1S/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/t13-,14+,15+,16-,17-,18-/m0/s1

InChIKey

SKZMVWBZTQNCKW-IZPLOLCNSA-N

Compound name

[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate

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]+	355.15738	179.2
[M+Na]+	377.13932	186.2
[M+NH4]+	372.18392	188.5
[M+K]+	393.11326	179.4
[M-H]-	353.14282	179.1
[M+Na-2H]-	375.12477	179.5
[M]+	354.14955	180.5
[M]-	354.15065	180.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

355.15738

179.2

[M+Na]+

377.13932

186.2

[M+NH4]+

372.18392

188.5

[M+K]+

393.11326

179.4

[M-H]-

353.14282

179.1

[M+Na-2H]-

375.12477

179.5

[M]+

354.14955

180.5

[M]-

354.15065

180.5

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

Nandrolone sodium sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe