2-[(3R,4S)-3-({5-[(Phenylsulfanyl)methyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone

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Systematic / IUPAC Name: 2-[(3R,4S)-3-[[5-(Phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

ID: Reference9522

Other Names: Ethanone, 2-[(3R,4S)-3-[[5-[(phenylthio)methyl]-3-isoxazolyl]methyl]-4-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-;
NAT14-350183

Formula: C27H33N5O2S

Spectral Data

2-[(3R,4S)-3-({5-[(Phenylsulfanyl)methyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone 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 2
No. of Spectra 3246
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/25/2020 2:51:17 PM
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Identificators

InChI InChI=1S/C27H33N5O2S/c33-27(32-14-12-31(13-15-32)26-8-4-5-10-29-26)17-21-9-11-28-19-22(21)16-23-18-24(34-30-23)20-35-25-6-2-1-3-7-25/h1-8,10,18,21-22,28H,9,11-17,19-20H2/t21-,22-/m0/s1
InChI Key KIOMCBDDFQMEDD-VXKWHMMOSA-N
Canonical SMILES C1CNCC(C1CC(=O)N2CCN(CC2)C3=CC=CC=N3)CC4=NOC(=C4)CSC5=CC=CC=C5
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Other Names Ethanone, 2-[(3R,4S)-3-[[5-[(phenylthio)methyl]-3-isoxazolyl]methyl]-4-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-;
NAT14-350183

In Other Databases

PubChem 26743124
ChemSpider 21384908