CID 235672

Prenortestosterone

Structural Information

Molecular Formula
C18H26O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CCC(=O)C4
InChI
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-17,20H,2-10H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey
BAZGVDKAIHZPOH-ZBRFXRBCSA-N
Compound name
(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

274.19327 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 167.4
[M+Na]+ 297.18249 176.9
[M+NH4]+ 292.22709 179.1
[M+K]+ 313.15643 169.2
[M-H]- 273.18599 170.1
[M+Na-2H]- 295.16794 168.8
[M]+ 274.19272 169.5
[M]- 274.19382 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe