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

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Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-(5-Cyclohexyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]methanesulfonamide

ID: Reference9036

Other Names: Methanesulfonamide, N-[[(2R,4S,5R)-5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-333659

Formula: C19H32N4O2S

Spectral Data

N-{[(2R,4S,5R)-5-(3-Cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}methanesulfonamide 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 2140
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 11:31:43 AM
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Identificators

InChI InChI=1S/C19H32N4O2S/c1-22-19(11-18(21-22)14-6-4-3-5-7-14)17-13-23-9-8-15(17)10-16(23)12-20-26(2,24)25/h11,14-17,20H,3-10,12-13H2,1-2H3/t15-,16+,17-/m0/s1
InChI Key YYRUNOOQWCPIKE-BBWFWOEESA-N
Canonical SMILES CN1C(=CC(=N1)C2CCCCC2)C3CN4CCC3CC4CNS(=O)(=O)C
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Other Names Methanesulfonamide, N-[[(2R,4S,5R)-5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-333659

In Other Databases

PubChem 40779397
ChemSpider 21380985