CID 58630855

5,6-dehydro finasteride

Structural Information

Molecular Formula
C23H34N2O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H34N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h9,11,13-17H,6-8,10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,22-,23+/m0/s1
InChIKey
LNFKNSWOVCPIGC-FIIPNDBVSA-N
Compound name
(1S,3aS,3bS,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,9b,10,11-decahydroindeno[5,4-f]quinoline-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.26202 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.26930 191.9
[M+Na]+ 393.25124 199.2
[M+NH4]+ 388.29584 202.2
[M+K]+ 409.22518 191.3
[M-H]- 369.25474 192.8
[M+Na-2H]- 391.23669 193.7
[M]+ 370.26147 193.2
[M]- 370.26257 193.2
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