CID 239595

9-dehydroandrostenedione

Structural Information

Molecular Formula
C19H24O2
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3CCC4=O)C
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/h8,11,14-15H,3-7,9-10H2,1-2H3/t14-,15-,18-,19-/m0/s1
InChIKey
HJTUINCBGMVXOB-LNMJFAINSA-N
Compound name
(8S,10S,13S,14S)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

102
Patents

284.17764 Da
Monoisotopic Mass

2.3
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