(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-[(1-methyl-4-piperidinyl)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-[[(1-methylpiperidin-4-yl)amino]methyl]oxan-3-ol

ID: Reference13042

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-7-[(1-methyl-4-piperidinyl)amino]-;
NAT12-540396

Formula: C22H30FN3O3

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-[(1-methyl-4-piperidinyl)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 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 2/29/2024 9:32:10 AM
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Identificators

InChI InChI=1S/C22H30FN3O3/c1-26-10-8-17(9-11-26)24-14-22-20(27)7-6-19(28-22)12-18-13-21(29-25-18)15-2-4-16(23)5-3-15/h2-5,13,17,19-20,22,24,27H,6-12,14H2,1H3/t19-,20-,22+/m0/s1
InChI Key CYXPDXQFBYVEES-JAXLGGSGSA-N
Canonical SMILES CN1CCC(CC1)NCC2C(CCC(O2)CC3=NOC(=C3)C4=CC=C(C=C4)F)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-[(1-methyl-4-piperidinyl)amino]-;
NAT12-540396

In Other Databases

ChemSpider 29856513
PubChem 75536259