CID 18651

Desoxymethyltestosterone

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC=CC4)C
InChI
InChI=1S/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1
InChIKey
FRVHJVATKMIOPQ-PAPWGAKMSA-N
Compound name
(5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

475
Patents

288.24533 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 175.0
[M+Na]+ 311.23455 180.4
[M-H]- 287.23805 178.1
[M+NH4]+ 306.27915 200.6
[M+K]+ 327.20849 174.1
[M+H-H2O]+ 271.24259 168.4
[M+HCOO]- 333.24353 184.1
[M+CH3COO]- 347.25918 184.1
[M+Na-2H]- 309.22000 176.4
[M]+ 288.24478 167.1
[M]- 288.24588 167.1
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