CID 11778925

4-aza-5alpha-androstane-3,17-dione

Structural Information

Molecular Formula
C18H27NO2
SMILES
C[C@]12CCC(=O)N[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI
InChI=1S/C18H27NO2/c1-17-10-8-16(21)19-14(17)5-3-11-12-4-6-15(20)18(12,2)9-7-13(11)17/h11-14H,3-10H2,1-2H3,(H,19,21)/t11-,12-,13-,14+,17+,18-/m0/s1
InChIKey
KMGNQIWYDLGYQZ-BYYBLHGYSA-N
Compound name
(3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

289.2042 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 174.1
[M+Na]+ 312.19342 182.5
[M+NH4]+ 307.23802 185.9
[M+K]+ 328.16736 173.4
[M-H]- 288.19692 175.5
[M+Na-2H]- 310.17887 175.3
[M]+ 289.20365 175.7
[M]- 289.20475 175.7
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

patents stripe