Finasteride (C23H36N2O2)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	373.284956	194.8
[M+Na]+	395.266898	198.0
[M-H]-	371.270404	195.7
[M+NH4]+	390.311503	213.3
[M+K]+	411.240838	192.3
[M+H-H2O]+	355.274940	188.4
[M+HCOO]-	417.275881	200.3
[M+CH3COO]-	431.291531	220.4
[M+Na-2H]-	393.252346	194.6
[M]+	372.27713142	186.8
[M]-	372.27822858	186.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.284956

194.8

[M+Na]+

395.266898

198.0

[M-H]-

371.270404

195.7

[M+NH4]+

390.311503

213.3

[M+K]+

411.240838

192.3

[M+H-H2O]+

355.274940

188.4

[M+HCOO]-

417.275881

200.3

[M+CH3COO]-

431.291531

220.4

[M+Na-2H]-

393.252346

194.6

[M]+

372.27713142

186.8

[M]-

372.27822858

186.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Finasteride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe