{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-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-[5-(3,4-Dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate

ID: Reference9195

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanol, 5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-, phenylcarbamate (ester), (2R,4S,5R)-;
NAT13-339047

Formula: C27H32N4O4

Spectral Data

{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-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 1
No. of Spectra 3457
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8, MS9
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 10:00:52 AM
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Identificators

InChI InChI=1S/C27H32N4O4/c1-30-24(15-23(29-30)19-9-10-25(33-2)26(14-19)34-3)22-16-31-12-11-18(22)13-21(31)17-35-27(32)28-20-7-5-4-6-8-20/h4-10,14-15,18,21-22H,11-13,16-17H2,1-3H3,(H,28,32)/t18-,21+,22-/m0/s1
InChI Key VPXZOFWVYVBANX-BWAGFHJFSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C3CN4CCC3CC4COC(=O)NC5=CC=CC=C5
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-2-methanol, 5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-, phenylcarbamate (ester), (2R,4S,5R)-;
NAT13-339047

In Other Databases

PubChem 25389544
ChemSpider 21381240