N-{[(2R,4S,5S)-5-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-(trifluoromethyl)benzamide

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Systematic / IUPAC Name: N-[[(2R,4S,5S)-5-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-(trifluoromethyl)benzamide

ID: Reference9416

Other Names: Benzamide, N-[[(2R,4S,5S)-5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339715

Formula: C27H32F4N4O

Spectral Data

N-{[(2R,4S,5S)-5-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-(trifluoromethyl)benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2142
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/28/2020 11:22:12 AM
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Identificators

InChI InChI=1S/C27H32F4N4O/c28-23-5-7-24(8-6-23)34-13-11-33(12-14-34)17-21-18-35-10-9-20(21)15-25(35)16-32-26(36)19-1-3-22(4-2-19)27(29,30)31/h1-8,20-21,25H,9-18H2,(H,32,36)/t20-,21-,25+/m0/s1
InChI Key SPDOZWVQTZSMHM-STWLZBDKSA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)C3=CC=C(C=C3)C(F)(F)F)CN4CCN(CC4)C5=CC=C(C=C5)F
CAS
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Other Names Benzamide, N-[[(2R,4S,5S)-5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-339715

In Other Databases

ChemSpider 21381610
PubChem 40776861