PubChemLite - Androstanolone valerate (C24H38O3)

Structural Information

Molecular Formula

SMILES

CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C

InChI

InChI=1S/C24H38O3/c1-4-5-6-22(26)27-21-10-9-19-18-8-7-16-15-17(25)11-13-23(16,2)20(18)12-14-24(19,21)3/h16,18-21H,4-15H2,1-3H3/t16-,18-,19-,20-,21-,23-,24-/m0/s1

InChIKey

AGXPLMCKHGTYNP-KXBDTHCRSA-N

Compound name

[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] pentanoate

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]+	375.28938	196.7
[M+Na]+	397.27132	199.1
[M-H]-	373.27482	199.6
[M+NH4]+	392.31592	217.1
[M+K]+	413.24526	193.7
[M+H-H2O]+	357.27936	189.8
[M+HCOO]-	419.28030	203.8
[M+CH3COO]-	433.29595	220.6
[M+Na-2H]-	395.25677	193.4
[M]+	374.28155	191.0
[M]-	374.28265	191.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

375.28938

196.7

[M+Na]+

397.27132

199.1

[M-H]-

373.27482

199.6

[M+NH4]+

392.31592

217.1

[M+K]+

413.24526

193.7

[M+H-H2O]+

357.27936

189.8

[M+HCOO]-

419.28030

203.8

[M+CH3COO]-

433.29595

220.6

[M+Na-2H]-

395.25677

193.4

[M]+

374.28155

191.0

[M]-

374.28265

191.0

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

Androstanolone valerate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe