1-(4-Methoxyphenyl)-N-({(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)methanamine

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

ID: Reference9027

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanamine, N-[(4-methoxyphenyl)methyl]-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-, (2R,4S,5R)-;
NAT13-333209

Formula: C24H30N4OS

Spectral Data

1-(4-Methoxyphenyl)-N-({(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)methanamine 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 1
No. of Spectra 287
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 7:23:28 AM
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Identificators

InChI InChI=1S/C24H30N4OS/c1-27-23(13-22(26-27)24-4-3-11-30-24)21-16-28-10-9-18(21)12-19(28)15-25-14-17-5-7-20(29-2)8-6-17/h3-8,11,13,18-19,21,25H,9-10,12,14-16H2,1-2H3/t18-,19+,21-/m0/s1
InChI Key PQIBHGTXCNLNFG-ZVDOUQERSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CS2)C3CN4CCC3CC4CNCC5=CC=C(C=C5)OC
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-2-methanamine, N-[(4-methoxyphenyl)methyl]-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-, (2R,4S,5R)-;
NAT13-333209

In Other Databases

PubChem 44716332
ChemSpider 21380931