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

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

ID: Reference11216

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-7-[(4-pyridinylmethyl)amino]-;
NAT12-540401

Formula: C22H24FN3O3

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-[(4-pyridinylmethyl)amino]-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 1626
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/18/2022 7:09:09 AM
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Identificators

InChI InChI=1S/C22H24FN3O3/c23-17-3-1-16(2-4-17)21-12-18(26-29-21)11-19-5-6-20(27)22(28-19)14-25-13-15-7-9-24-10-8-15/h1-4,7-10,12,19-20,22,25,27H,5-6,11,13-14H2/t19-,20-,22+/m0/s1
InChI Key HAWVBIQCTBCQBD-JAXLGGSGSA-N
Canonical SMILES C1CC(C(OC1CC2=NOC(=C2)C3=CC=C(C=C3)F)CNCC4=CC=NC=C4)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-7-[(4-pyridinylmethyl)amino]-;
NAT12-540401

In Other Databases

ChemSpider 29856516
PubChem 75536261