CID 150968

19-hydroxytestosterone

Structural Information

Molecular Formula
C19H28O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34CO
InChI
InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
InChIKey
YLTCTXBDDHSLCS-KOUJMVCDSA-N
Compound name
(8R,9S,10S,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

88
Patents

304.20386 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 175.2
[M+Na]+ 327.19308 183.5
[M+NH4]+ 322.23768 187.1
[M+K]+ 343.16702 174.7
[M-H]- 303.19658 176.8
[M+Na-2H]- 325.17853 176.8
[M]+ 304.20331 176.9
[M]- 304.20441 176.9
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