N-{[(2R,4S,5S)-5-{[4-(2-Methoxyphenyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-1,3-benzodioxole-5-carboxamide

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Systematic / IUPAC Name: N-[[(2R,4S,5S)-5-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

ID: Reference9148

Other Names: 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5S)-5-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339666

Formula: C28H36N4O4

Spectral Data

N-{[(2R,4S,5S)-5-{[4-(2-Methoxyphenyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-1,3-benzodioxole-5-carboxamide 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 2927
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 12:27:19 PM
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Identificators

InChI InChI=1S/C28H36N4O4/c1-34-25-5-3-2-4-24(25)31-12-10-30(11-13-31)17-22-18-32-9-8-20(22)14-23(32)16-29-28(33)21-6-7-26-27(15-21)36-19-35-26/h2-7,15,20,22-23H,8-14,16-19H2,1H3,(H,29,33)/t20-,22-,23+/m0/s1
InChI Key BAGBQBLFCOXCHD-ACIOBRDBSA-N
Canonical SMILES COC1=CC=CC=C1N2CCN(CC2)CC3CN4CCC3CC4CNC(=O)C5=CC6=C(C=C5)OCO6
CAS
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Other Names 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5S)-5-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339666

In Other Databases

PubChem 40777226
ChemSpider 21381587