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

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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]thiophene-2-carboxamide

ID: Reference9318

Other Names: 2-Thiophenecarboxamide, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368643

Formula: C24H25BrN4OS

Spectral Data

N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2-thiophenecarboxamide 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 934
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2020 11:43:59 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H25BrN4OS/c1-15-27-21(18-5-2-3-6-20(18)25)12-22(28-15)19-14-29-9-8-16(19)11-17(29)13-26-24(30)23-7-4-10-31-23/h2-7,10,12,16-17,19H,8-9,11,13-14H2,1H3,(H,26,30)/t16-,17+,19-/m0/s1
InChI Key TVLGEHZVSKVGKX-SCTDSRPQSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4=CC=CS4)C5=CC=CC=C5Br
CAS
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Other Names 2-Thiophenecarboxamide, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368643

In Other Databases

PubChem 40777099
ChemSpider 21382046