N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-1-propanesulfonamide

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Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]propane-1-sulfonamide

ID: Reference9281

Other Names: 1-Propanesulfonamide, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368663

Formula: C22H29BrN4O2S

Spectral Data

N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-1-propanesulfonamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1726
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2020 2:00:23 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H29BrN4O2S/c1-3-10-30(28,29)24-13-17-11-16-8-9-27(17)14-19(16)22-12-21(25-15(2)26-22)18-6-4-5-7-20(18)23/h4-7,12,16-17,19,24H,3,8-11,13-14H2,1-2H3/t16-,17+,19-/m0/s1
InChI Key CAVDAGBRENXSGJ-SCTDSRPQSA-N
Canonical SMILES CCCS(=O)(=O)NCC1CC2CCN1CC2C3=NC(=NC(=C3)C4=CC=CC=C4Br)C
CAS
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Other Names 1-Propanesulfonamide, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368663

In Other Databases

ChemSpider 21382061
PubChem 40777125