CID 160615

4-hydroxytestosterone

Structural Information

Molecular Formula
C19H28O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)O
InChI
InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1
InChIKey
BQOIJSIMMIDHMO-FBPKJDBXSA-N
Compound name
(8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

297
Patents

304.20386 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 174.3
[M+Na]+ 327.19308 183.0
[M+NH4]+ 322.23768 186.3
[M+K]+ 343.16702 174.5
[M-H]- 303.19658 176.0
[M+Na-2H]- 325.17853 175.8
[M]+ 304.20331 176.1
[M]- 304.20441 176.1
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