CID 224004

Drostanolone propionate

Structural Information

Molecular Formula
C23H36O3
SMILES
CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C
InChI
InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1
InChIKey
NOTIQUSPUUHHEH-UXOVVSIBSA-N
Compound name
[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

56191
Patents

360.26645 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.27373 191.3
[M+Na]+ 383.25567 195.1
[M-H]- 359.25917 194.8
[M+NH4]+ 378.30027 212.6
[M+K]+ 399.22961 190.0
[M+H-H2O]+ 343.26371 185.0
[M+HCOO]- 405.26465 198.7
[M+CH3COO]- 419.28030 219.0
[M+Na-2H]- 381.24112 188.0
[M]+ 360.26590 185.7
[M]- 360.26700 185.7
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.