N-{[(2R,4S,5S)-5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-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-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

ID: Reference10039

Other Names: 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5S)-5-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339466

Formula: C26H31N3O3

Spectral Data

N-{[(2R,4S,5S)-5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-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
No. of Spectral Trees 2
No. of Spectra 1538
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/5/2020 1:36:46 PM
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Identificators

InChI InChI=1S/C26H31N3O3/c30-26(20-5-6-24-25(12-20)32-17-31-24)27-13-23-11-19-8-10-29(23)16-22(19)15-28-9-7-18-3-1-2-4-21(18)14-28/h1-6,12,19,22-23H,7-11,13-17H2,(H,27,30)/t19-,22-,23+/m0/s1
InChI Key GRFJXQPZIXJXAF-AJSBUHFISA-N
Canonical SMILES C1CN2CC(C1CC2CNC(=O)C3=CC4=C(C=C3)OCO4)CN5CCC6=CC=CC=C6C5
CAS
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Other Names 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5S)-5-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339466

In Other Databases

PubChem 25389261
ChemSpider 21381397