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 176.0
[M+Na]+ 325.21380 179.5
[M-H]- 301.21730 178.7
[M+NH4]+ 320.25840 197.0
[M+K]+ 341.18774 173.9
[M+H-H2O]+ 285.22184 170.0
[M+HCOO]- 347.22278 184.3
[M+CH3COO]- 361.23843 184.4
[M+Na-2H]- 323.19925 174.1
[M]+ 302.22403 167.8
[M]- 302.22513 167.8
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