{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl phenylcarbamate

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Systematic / IUPAC Name: [(2R,4S,5R)-5-(2-Methyl-5-thiophen-2-ylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate

ID: Reference9077

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanol, 5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-, phenylcarbamate (ester), (2R,4S,5R)-;
NAT13-331656

Formula: C23H26N4O2S

Spectral Data

{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl phenylcarbamate 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 2
No. of Spectra 3557
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2019 8:47:01 AM
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Identificators

InChI InChI=1S/C23H26N4O2S/c1-26-21(13-20(25-26)22-8-5-11-30-22)19-14-27-10-9-16(19)12-18(27)15-29-23(28)24-17-6-3-2-4-7-17/h2-8,11,13,16,18-19H,9-10,12,14-15H2,1H3,(H,24,28)/t16-,18+,19-/m0/s1
InChI Key YPXAUQTVOZZFGF-UHOSZYNNSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CS2)C3CN4CCC3CC4COC(=O)NC5=CC=CC=C5
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-2-methanol, 5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-, phenylcarbamate (ester), (2R,4S,5R)-;
NAT13-331656

In Other Databases

ChemSpider 21380735
PubChem 40780076