(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(1-methyl-4-piperidinyl)amino]-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-D-erythro-hexitol

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Systematic / IUPAC Name: (2R,3S,6S)-2-[[(1-Methylpiperidin-4-yl)amino]methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol

ID: Reference11238

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(1-methyl-4-piperidinyl)amino]-1-(5-phenyl-3-isoxazolyl)-;
NAT12-540542

Formula: C22H31N3O3

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(1-methyl-4-piperidinyl)amino]-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-D-erythro-hexitol 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 283
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 2/25/2022 11:05:57 AM
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Identificators

InChI InChI=1S/C22H31N3O3/c1-25-11-9-17(10-12-25)23-15-22-20(26)8-7-19(27-22)13-18-14-21(28-24-18)16-5-3-2-4-6-16/h2-6,14,17,19-20,22-23,26H,7-13,15H2,1H3/t19-,20-,22+/m0/s1
InChI Key LVPLJXOBCVXANF-JAXLGGSGSA-N
Canonical SMILES CN1CCC(CC1)NCC2C(CCC(O2)CC3=NOC(=C3)C4=CC=CC=C4)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(1-methyl-4-piperidinyl)amino]-1-(5-phenyl-3-isoxazolyl)-;
NAT12-540542

In Other Databases

ChemSpider 29856602
PubChem 75536318