PubChemLite - Nandrolone furylpropionate (C25H32O4)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CO4)CCC5=CC(=O)CC[C@H]35

InChI

InChI=1S/C25H32O4/c1-25-13-12-20-19-8-5-17(26)15-16(19)4-7-21(20)22(25)9-10-23(25)29-24(27)11-6-18-3-2-14-28-18/h2-3,14-15,19-23H,4-13H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1

InChIKey

ICNIVTHKZKRHPD-YNFNDHOQSA-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-(furan-2-yl)propanoate

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]+	397.23735	198.2
[M+Na]+	419.21929	201.2
[M-H]-	395.22279	205.9
[M+NH4]+	414.26389	215.8
[M+K]+	435.19323	196.8
[M+H-H2O]+	379.22733	191.4
[M+HCOO]-	441.22827	208.2
[M+CH3COO]-	455.24392	206.1
[M+Na-2H]-	417.20474	194.2
[M]+	396.22952	194.5
[M]-	396.23062	194.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.23735

198.2

[M+Na]+

419.21929

201.2

[M-H]-

395.22279

205.9

[M+NH4]+

414.26389

215.8

[M+K]+

435.19323

196.8

[M+H-H2O]+

379.22733

191.4

[M+HCOO]-

441.22827

208.2

[M+CH3COO]-

455.24392

206.1

[M+Na-2H]-

417.20474

194.2

[M]+

396.22952

194.5

[M]-

396.23062

194.5

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

Nandrolone furylpropionate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe