PubChemLite - Nandrolone decanoate (C28H44O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1

InChIKey

JKWKMORAXJQQSR-MOPIKTETSA-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] decanoate

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]+	429.33632	212.9
[M+Na]+	451.31826	220.0
[M+NH4]+	446.36286	222.1
[M+K]+	467.29220	211.0
[M-H]-	427.32176	214.7
[M+Na-2H]-	449.30371	211.4
[M]+	428.32849	214.3
[M]-	428.32959	214.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.33632

212.9

[M+Na]+

451.31826

220.0

[M+NH4]+

446.36286

222.1

[M+K]+

467.29220

211.0

[M-H]-

427.32176

214.7

[M+Na-2H]-

449.30371

211.4

[M]+

428.32849

214.3

[M]-

428.32959

214.3

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

Nandrolone decanoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe