CID 19275

Oxogestone

Structural Information

Molecular Formula
C20H30O2
SMILES
C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O
InChI
InChI=1S/C20H30O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11-12,15-19,21H,3-10H2,1-2H3/t12-,15+,16-,17-,18-,19+,20-/m1/s1
InChIKey
CNOGNHFPIBORED-JIKCGYBYSA-N
Compound name
(8R,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

302.22458 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 175.8
[M+Na]+ 325.21380 184.6
[M+NH4]+ 320.25840 187.0
[M+K]+ 341.18774 177.2
[M-H]- 301.21730 178.3
[M+Na-2H]- 323.19925 176.4
[M]+ 302.22403 177.7
[M]- 302.22513 177.7
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

patents stripe