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

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

ID: Reference9049

Other Names: 2-Furancarboxamide, N-[[(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-338569

Formula: C25H30N4O4

Spectral Data

N-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2-furamide 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 498
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 7:26:39 AM
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Identificators

InChI InChI=1S/C25H30N4O4/c1-28-21(13-20(27-28)17-6-7-22(31-2)24(12-17)32-3)19-15-29-9-8-16(19)11-18(29)14-26-25(30)23-5-4-10-33-23/h4-7,10,12-13,16,18-19H,8-9,11,14-15H2,1-3H3,(H,26,30)/t16-,18+,19-/m0/s1
InChI Key WHBKXGYDTLZGNJ-UHOSZYNNSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C3CN4CCC3CC4CNC(=O)C5=CC=CO5
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Other Names 2-Furancarboxamide, N-[[(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-338569

In Other Databases

PubChem 40779519
ChemSpider 21381183