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

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Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-(2-Methyl-6-thiophen-2-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclobutanecarboxamide

ID: Reference9334

Other Names: Cyclobutanecarboxamide, N-[[(2R,4S,5R)-5-[2-methyl-6-(2-thienyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-342697

Formula: C22H28N4OS

Spectral Data

N-({(2R,4S,5R)-5-[2-Methyl-6-(2-thienyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)cyclobutanecarboxamide 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 2
No. of Spectra 2306
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2020 8:40:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H28N4OS/c1-14-24-19(11-20(25-14)21-6-3-9-28-21)18-13-26-8-7-16(18)10-17(26)12-23-22(27)15-4-2-5-15/h3,6,9,11,15-18H,2,4-5,7-8,10,12-13H2,1H3,(H,23,27)/t16-,17+,18-/m0/s1
InChI Key JUTGXTWSPQZEAA-KSZLIROESA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4CCC4)C5=CC=CS5
CAS
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Other Names Cyclobutanecarboxamide, N-[[(2R,4S,5R)-5-[2-methyl-6-(2-thienyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-342697

In Other Databases

PubChem 26742396
ChemSpider 21381944