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

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

ID: Reference9320

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-, (2R,4S,5R)-;
NAT13-333141

Formula: C16H22N4S

Spectral Data

1-{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}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
No. of Spectral Trees 1
No. of Spectra 1513
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2020 11:47:10 AM
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Identificators

InChI InChI=1S/C16H22N4S/c1-19-15(8-14(18-19)16-3-2-6-21-16)13-10-20-5-4-11(13)7-12(20)9-17/h2-3,6,8,11-13H,4-5,7,9-10,17H2,1H3/t11-,12+,13-/m0/s1
InChI Key VDEVONQNOQHXMM-XQQFMLRXSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CS2)C3CN4CCC3CC4CN
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-, (2R,4S,5R)-;
NAT13-333141

In Other Databases

ChemSpider 21380901
ChEMBL CHEMBL3437447
PubChem 44716331