CID 5878

Oxandrolone

Structural Information

Molecular Formula
C19H30O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C
InChI
InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
InChIKey
QSLJIVKCVHQPLV-PEMPUTJUSA-N
Compound name
(1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

576
References

7255
Patents

306.21948 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 174.1
[M+Na]+ 329.20870 179.9
[M-H]- 305.21220 177.8
[M+NH4]+ 324.25330 197.7
[M+K]+ 345.18264 175.9
[M+H-H2O]+ 289.21674 168.4
[M+HCOO]- 351.21768 181.5
[M+CH3COO]- 365.23333 183.4
[M+Na-2H]- 327.19415 176.2
[M]+ 306.21893 167.9
[M]- 306.22003 167.9
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.