CID 92834

19-norandrostenedione

Structural Information

Molecular Formula
C18H24O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1
InChIKey
JRIZOGLBRPZBLQ-QXUSFIETSA-N
Compound name
(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

67
References

778
Patents

272.17764 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 165.2
[M+Na]+ 295.16686 170.7
[M-H]- 271.17036 169.8
[M+NH4]+ 290.21146 188.1
[M+K]+ 311.14080 165.2
[M+H-H2O]+ 255.17490 158.9
[M+HCOO]- 317.17584 177.1
[M+CH3COO]- 331.19149 175.4
[M+Na-2H]- 293.15231 165.9
[M]+ 272.17709 158.0
[M]- 272.17819 158.0
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