1-{4-[(3-{[5-(2-Hydroxy-2-propanyl)-1,2-oxazol-3-yl]methyl}-3-oxetanyl)amino]-1-piperidinyl}ethanone

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Systematic / IUPAC Name: 1-[4-[[3-[[5-(2-Hydroxypropan-2-yl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone

ID: Reference9716

Other Names: Ethanone, 1-[4-[[3-[[5-(1-hydroxy-1-methylethyl)-3-isoxazolyl]methyl]-3-oxetanyl]amino]-1-piperidinyl]-;
NAT39-500116

Formula: C17H27N3O4

Spectral Data

1-{4-[(3-{[5-(2-Hydroxy-2-propanyl)-1,2-oxazol-3-yl]methyl}-3-oxetanyl)amino]-1-piperidinyl}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 1
No. of Spectra 2368
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2020 7:05:29 AM
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Identificators

InChI InChI=1S/C17H27N3O4/c1-12(21)20-6-4-13(5-7-20)18-17(10-23-11-17)9-14-8-15(24-19-14)16(2,3)22/h8,13,18,22H,4-7,9-11H2,1-3H3
InChI Key KHOBLWRCYZLMFX-UHFFFAOYSA-N
Canonical SMILES CC(=O)N1CCC(CC1)NC2(COC2)CC3=NOC(=C3)C(C)(C)O
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Other Names Ethanone, 1-[4-[[3-[[5-(1-hydroxy-1-methylethyl)-3-isoxazolyl]methyl]-3-oxetanyl]amino]-1-piperidinyl]-;
NAT39-500116

In Other Databases

PubChem 56775500
ChEMBL CHEMBL3437311
ChemSpider 29853476