N-({(2R,4S,5R)-5-[6-(2-Furyl)-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-(Furan-2-yl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiophene-2-carboxamide

ID: Reference9722

Other Names: 2-Thiophenecarboxamide, N-[[(2R,4S,5R)-5-[6-(2-furanyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-342928

Formula: C22H24N4O2S

Spectral Data

N-({(2R,4S,5R)-5-[6-(2-Furyl)-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 1142
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2020 7:14:08 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H24N4O2S/c1-14-24-18(11-19(25-14)20-4-2-8-28-20)17-13-26-7-6-15(17)10-16(26)12-23-22(27)21-5-3-9-29-21/h2-5,8-9,11,15-17H,6-7,10,12-13H2,1H3,(H,23,27)/t15-,16+,17-/m0/s1
InChI Key HENIKZZBCDTPKQ-BBWFWOEESA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4=CC=CS4)C5=CC=CO5
CAS
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Other Names 2-Thiophenecarboxamide, N-[[(2R,4S,5R)-5-[6-(2-furanyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-342928

In Other Databases

PubChem 26742412
ChemSpider 21381969