(1S)-1,5-Anhydro-2,3,6-trideoxy-6-(4-piperidinylamino)-1-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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

ID: Reference11325

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-(4-piperidinylamino)-1-[5-(2-pyridinyl)-3-isoxazolyl]-;
NAT12-540745

Formula: C20H28N4O3

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-(4-piperidinylamino)-1-{[5-(2-pyridinyl)-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 1415
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/1/2022 9:10:44 AM
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Identificators

InChI InChI=1S/C20H28N4O3/c25-18-5-4-16(26-20(18)13-23-14-6-9-21-10-7-14)11-15-12-19(27-24-15)17-3-1-2-8-22-17/h1-3,8,12,14,16,18,20-21,23,25H,4-7,9-11,13H2/t16-,18-,20+/m0/s1
InChI Key ATXODTKISZYIKL-XKGZKEIXSA-N
Canonical SMILES C1CC(C(OC1CC2=NOC(=C2)C3=CC=CC=N3)CNC4CCNCC4)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-(4-piperidinylamino)-1-[5-(2-pyridinyl)-3-isoxazolyl]-;
NAT12-540745

In Other Databases

ChemSpider 32034839
PubChem 75536361