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
8
Annotation Hits

3262
References

73424
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 194.8
[M+Na]+ 395.26690 198.0
[M-H]- 371.27040 195.7
[M+NH4]+ 390.31150 213.3
[M+K]+ 411.24084 192.3
[M+H-H2O]+ 355.27494 188.4
[M+HCOO]- 417.27588 200.3
[M+CH3COO]- 431.29153 220.4
[M+Na-2H]- 393.25235 194.6
[M]+ 372.27713 186.8
[M]- 372.27823 186.8
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

No patent data available for this compound.