CID 57363

Finasteride

Structural Information

Molecular Formula
C23H36N2O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H36N2O2/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/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKey
DBEPLOCGEIEOCV-WSBQPABSSA-N
Compound name
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3248
References

73851
Patents

372.27768 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28496 193.1
[M+Na]+ 395.26690 199.4
[M+NH4]+ 390.31150 203.3
[M+K]+ 411.24084 191.7
[M-H]- 371.27040 193.8
[M+Na-2H]- 393.25235 193.9
[M]+ 372.27713 194.1
[M]- 372.27823 194.1
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