PubChemLite - Nandrolone phenylpropionate (C27H34O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35

InChI

InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1

InChIKey

UBWXUGDQUBIEIZ-QNTYDACNSA-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-phenylpropanoate

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]+	407.25808	202.8
[M+Na]+	429.24002	204.8
[M-H]-	405.24352	209.0
[M+NH4]+	424.28462	219.1
[M+K]+	445.21396	198.4
[M+H-H2O]+	389.24806	193.4
[M+HCOO]-	451.24900	211.8
[M+CH3COO]-	465.26465	209.4
[M+Na-2H]-	427.22547	199.4
[M]+	406.25025	196.4
[M]-	406.25135	196.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.25808

202.8

[M+Na]+

429.24002

204.8

[M-H]-

405.24352

209.0

[M+NH4]+

424.28462

219.1

[M+K]+

445.21396

198.4

[M+H-H2O]+

389.24806

193.4

[M+HCOO]-

451.24900

211.8

[M+CH3COO]-

465.26465

209.4

[M+Na-2H]-

427.22547

199.4

[M]+

406.25025

196.4

[M]-

406.25135

196.4

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

Nandrolone phenylpropionate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe