PubChemLite - Omega-hydroxyfinasteride (C22H34N2O3)

Structural Information

Molecular Formula

SMILES

CC12CCC3C(C1CCC2C(=O)NC(C)(C)O)CCC4C3(C=CC(=O)N4)C

InChI

InChI=1S/C22H34N2O3/c1-20(2,27)24-19(26)16-7-6-14-13-5-8-17-22(4,12-10-18(25)23-17)15(13)9-11-21(14,16)3/h10,12-17,27H,5-9,11H2,1-4H3,(H,23,25)(H,24,26)

InChIKey

LVMYOUOJYSDZSC-UHFFFAOYSA-N

Compound name

N-(2-hydroxypropan-2-yl)-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]+	375.26424	190.9
[M+Na]+	397.24618	196.3
[M+NH4]+	392.29078	200.3
[M+K]+	413.22012	189.8
[M-H]-	373.24968	190.6
[M+Na-2H]-	395.23163	191.1
[M]+	374.25641	191.4
[M]-	374.25751	191.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

375.26424

190.9

[M+Na]+

397.24618

196.3

[M+NH4]+

392.29078

200.3

[M+K]+

413.22012

189.8

[M-H]-

373.24968

190.6

[M+Na-2H]-

395.23163

191.1

[M]+

374.25641

191.4

[M]-

374.25751

191.4

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

Omega-hydroxyfinasteride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe