N-{[(2R,4S,5S)-5-{[4-(2-Pyridinyl)-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-Pyridin-2-ylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

ID: Reference9150

Other Names: 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5S)-5-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339741

Formula: C26H33N5O3

Spectral Data

N-{[(2R,4S,5S)-5-{[4-(2-Pyridinyl)-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 2132
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 12:31:54 PM
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Identificators

InChI InChI=1S/C26H33N5O3/c32-26(20-4-5-23-24(14-20)34-18-33-23)28-15-22-13-19-6-8-31(22)17-21(19)16-29-9-11-30(12-10-29)25-3-1-2-7-27-25/h1-5,7,14,19,21-22H,6,8-13,15-18H2,(H,28,32)/t19-,21-,22+/m0/s1
InChI Key QMXURHGGLPSVAF-ILWGZMRPSA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)C3=CC4=C(C=C3)OCO4)CN5CCN(CC5)C6=CC=CC=N6
CAS
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Other Names 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5S)-5-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339741

In Other Databases

ChemSpider 21381634
PubChem 28991177