CID 11809740

Androstanolone acetate

Structural Information

Molecular Formula
C21H32O3
SMILES
CC(=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/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey
ILCTUFVQFCIIDS-NGFSFWIMSA-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] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

53
Patents

332.23514 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.24242 183.4
[M+Na]+ 355.22436 187.3
[M-H]- 331.22786 187.1
[M+NH4]+ 350.26896 205.6
[M+K]+ 371.19830 182.5
[M+H-H2O]+ 315.23240 177.1
[M+HCOO]- 377.23334 191.7
[M+CH3COO]- 391.24899 211.9
[M+Na-2H]- 353.20981 181.7
[M]+ 332.23459 176.9
[M]- 332.23569 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.