1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-5-[(4-fluorobenzoyl)amino]-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-4-[(3-Cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide

ID: Reference11522

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(4-fluorobenzoyl)amino]-;
NAT19-551486

Formula: C20H20FN3O3

Spectral Data

1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-5-[(4-fluorobenzoyl)amino]-D-arabinitol 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 1653
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/1/2022 1:19:47 PM
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Identificators

InChI InChI=1S/C20H20FN3O3/c21-16-6-4-15(5-7-16)20(26)24-11-18-19(25)17(12-27-18)23-10-14-3-1-2-13(8-14)9-22/h1-8,17-19,23,25H,10-12H2,(H,24,26)/t17-,18-,19+/m1/s1
InChI Key QLQXRKCFFWVVQI-QRVBRYPASA-N
Canonical SMILES C1C(C(C(O1)CNC(=O)C2=CC=C(C=C2)F)O)NCC3=CC(=CC=C3)C#N
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(4-fluorobenzoyl)amino]-;
NAT19-551486

In Other Databases

PubChem 75536648
ChemSpider 29858556