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

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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-(4-acetylphenyl)carbamate

ID: Reference9056

Other Names: Carbamic acid, N-(4-acetylphenyl)-, [(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-331661

Formula: C25H28N4O3S

Spectral Data

{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl (4-acetylphenyl)carbamate 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 1292
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2019 11:00:08 AM
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Identificators

InChI InChI=1S/C25H28N4O3S/c1-16(30)17-5-7-19(8-6-17)26-25(31)32-15-20-12-18-9-10-29(20)14-21(18)23-13-22(27-28(23)2)24-4-3-11-33-24/h3-8,11,13,18,20-21H,9-10,12,14-15H2,1-2H3,(H,26,31)/t18-,20+,21-/m0/s1
InChI Key SORMOEXKGRUZCP-TYPHKJRUSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)OCC2CC3CCN2CC3C4=CC(=NN4C)C5=CC=CS5
CAS
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Other Names Carbamic acid, N-(4-acetylphenyl)-, [(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-331661

In Other Databases

PubChem 25389563
ChemSpider 21380738