CID 223997

Adrenosterone

Structural Information

Molecular Formula
C19H24O3
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C
InChI
InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
InChIKey
RZRPTBIGEANTGU-IRIMSJTPSA-N
Compound name
(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

63
References

769
Patents

300.17255 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 170.6
[M+Na]+ 323.16177 177.8
[M-H]- 299.16527 175.6
[M+NH4]+ 318.20637 194.5
[M+K]+ 339.13571 172.3
[M+H-H2O]+ 283.16981 164.6
[M+HCOO]- 345.17075 182.3
[M+CH3COO]- 359.18640 181.0
[M+Na-2H]- 321.14722 171.6
[M]+ 300.17200 165.4
[M]- 300.17310 165.4
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