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

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

ID: Reference9053

Other Names: Acetamide, N-[[(2R,4S,5R)-5-[3-(4-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-332686

Formula: C21H28N4O2

Spectral Data

N-({(2R,4S,5R)-5-[3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)acetamide 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 1
No. of Spectra 1527
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 12:01:51 PM
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Identificators

InChI InChI=1S/C21H28N4O2/c1-14(26)22-12-17-10-16-8-9-25(17)13-19(16)21-11-20(23-24(21)2)15-4-6-18(27-3)7-5-15/h4-7,11,16-17,19H,8-10,12-13H2,1-3H3,(H,22,26)/t16-,17+,19-/m0/s1
InChI Key JCRVYTQMEJTZEB-SCTDSRPQSA-N
Canonical SMILES CC(=O)NCC1CC2CCN1CC2C3=CC(=NN3C)C4=CC=C(C=C4)OC
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Other Names Acetamide, N-[[(2R,4S,5R)-5-[3-(4-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-332686

In Other Databases

ChemSpider 21380847
PubChem 40779277