N-(1,3-Benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-({5-[(phenylsulfanyl)methyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]acetamide

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Systematic / IUPAC Name: N-(1,3-Benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

ID: Reference9494

Other Names: 4-Piperidineacetamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[[5-[(phenylthio)methyl]-3-isoxazolyl]methyl]-, (3R,4S)-;
NAT14-350177

Formula: C26H29N3O4S

Spectral Data

N-(1,3-Benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-({5-[(phenylsulfanyl)methyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]acetamide 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 1217
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2020 2:58:25 PM
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Identificators

InChI InChI=1S/C26H29N3O4S/c30-26(28-14-18-6-7-24-25(10-18)32-17-31-24)12-19-8-9-27-15-20(19)11-21-13-22(33-29-21)16-34-23-4-2-1-3-5-23/h1-7,10,13,19-20,27H,8-9,11-12,14-17H2,(H,28,30)/t19-,20-/m0/s1
InChI Key USJXNOSLZZKVGR-PMACEKPBSA-N
Canonical SMILES C1CNCC(C1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=NOC(=C4)CSC5=CC=CC=C5
CAS
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Other Names 4-Piperidineacetamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[[5-[(phenylthio)methyl]-3-isoxazolyl]methyl]-, (3R,4S)-;
NAT14-350177

In Other Databases

PubChem 26743118
ChemSpider 21384903