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

ID: Reference9147

Other Names: 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339641

Formula: C27H34N4O3

Spectral Data

N-({(2R,4S,5S)-5-[(4-Phenyl-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 2461
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 12:25:35 PM
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Identificators

InChI InChI=1S/C27H34N4O3/c32-27(21-6-7-25-26(15-21)34-19-33-25)28-16-24-14-20-8-9-31(24)18-22(20)17-29-10-12-30(13-11-29)23-4-2-1-3-5-23/h1-7,15,20,22,24H,8-14,16-19H2,(H,28,32)/t20-,22-,24+/m0/s1
InChI Key HQEXKRAMATVMHX-ODGPQVTHSA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)C3=CC4=C(C=C3)OCO4)CN5CCN(CC5)C6=CC=CC=C6
CAS
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Other Names 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5S)-5-[(4-phenyl-1-piperazinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339641

In Other Databases

PubChem 40777224
ChemSpider 21381563