PubChemLite - Nandrolone cypionate (C26H38O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)CC[C@H]35

InChI

InChI=1S/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1

InChIKey

REWKEGSQGOSEES-FNKXXKKYSA-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] 3-cyclopentylpropanoate

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]+	399.28938	203.8
[M+Na]+	421.27132	204.3
[M-H]-	397.27482	209.6
[M+NH4]+	416.31592	222.3
[M+K]+	437.24526	198.1
[M+H-H2O]+	381.27936	196.5
[M+HCOO]-	443.28030	211.1
[M+CH3COO]-	457.29595	209.9
[M+Na-2H]-	419.25677	196.3
[M]+	398.28155	195.2
[M]-	398.28265	195.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

399.28938

203.8

[M+Na]+

421.27132

204.3

[M-H]-

397.27482

209.6

[M+NH4]+

416.31592

222.3

[M+K]+

437.24526

198.1

[M+H-H2O]+

381.27936

196.5

[M+HCOO]-

443.28030

211.1

[M+CH3COO]-

457.29595

209.9

[M+Na-2H]-

419.25677

196.3

[M]+

398.28155

195.2

[M]-

398.28265

195.2

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

Nandrolone cypionate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe