CID 5281034

Oxymetholone

Structural Information

Molecular Formula
C21H32O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/O)/C(=O)C4)C
InChI
InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1
InChIKey
ICMWWNHDUZJFDW-DHODBPELSA-N
Compound name
(2Z,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

448
References

7269
Patents

332.23514 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.24242 183.3
[M+Na]+ 355.22436 188.9
[M-H]- 331.22786 184.9
[M+NH4]+ 350.26896 206.6
[M+K]+ 371.19830 182.1
[M+H-H2O]+ 315.23240 178.1
[M+HCOO]- 377.23334 189.5
[M+CH3COO]- 391.24899 191.3
[M+Na-2H]- 353.20981 182.8
[M]+ 332.23459 175.0
[M]- 332.23569 175.0
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.