{[2-({[(2R,4S,5R)-5-(2-Methyl-6-phenyl-4-pyrimidinyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}amino)-2-oxoethyl]sulfanyl}acetic acid

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Systematic / IUPAC Name: 2-[2-[[(2R,4S,5R)-5-(2-Methyl-6-phenylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-2-oxoethyl]sulfanylacetic acid

ID: Reference12337

Other Names: NAT13-342445

Formula: C23H28N4O3S

Spectral Data

{[2-({[(2R,4S,5R)-5-(2-Methyl-6-phenyl-4-pyrimidinyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}amino)-2-oxoethyl]sulfanyl}acetic acid 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
No. of Spectral Trees 1
No. of Spectra 2258
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/7/2023 11:26:34 AM
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Identificators

InChI InChI=1S/C23H28N4O3S/c1-15-25-20(16-5-3-2-4-6-16)10-21(26-15)19-12-27-8-7-17(19)9-18(27)11-24-22(28)13-31-14-23(29)30/h2-6,10,17-19H,7-9,11-14H2,1H3,(H,24,28)(H,29,30)/t17-,18+,19-/m0/s1
InChI Key NIEPCSMZLSPURD-OTWHNJEPSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)CSCC(=O)O)C4=CC=CC=C4
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Other Names NAT13-342445

In Other Databases

ChemSpider 21381918
PubChem 26742374