CID 119202

Testosterone hemisuccinate

Structural Information

Molecular Formula
C23H32O5
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C
InChI
InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1
InChIKey
CJQNBXFUHQZFOE-VYAQIDIUSA-N
Compound name
4-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

46
Patents

388.22498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23226 194.9
[M+Na]+ 411.21420 198.0
[M-H]- 387.21770 197.1
[M+NH4]+ 406.25880 213.8
[M+K]+ 427.18814 193.5
[M+H-H2O]+ 371.22224 189.1
[M+HCOO]- 433.22318 201.8
[M+CH3COO]- 447.23883 219.6
[M+Na-2H]- 409.19965 192.6
[M]+ 388.22443 190.6
[M]- 388.22553 190.6
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

No patent data available for this compound.