CID 13472

Androsta-1,4-diene-3,17-dione

Structural Information

Molecular Formula
C19H24O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C
InChI
InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey
LUJVUUWNAPIQQI-QAGGRKNESA-N
Compound name
(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

168
References

1172
Patents

284.17764 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 170.1
[M+Na]+ 307.16686 181.0
[M+NH4]+ 302.21146 183.2
[M+K]+ 323.14080 170.8
[M-H]- 283.17036 173.3
[M+Na-2H]- 305.15231 174.1
[M]+ 284.17709 172.8
[M]- 284.17819 172.8
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