2-[(4-Acetamidobenzyl)amino]-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzoyl)amino]-D-arabinitol

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

ID: Reference11984

Other Names: D-Arabinitol, 2-[[[4-(acetylamino)phenyl]methyl]amino]-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzoyl)amino]-;
NAT19-551472

Formula: C21H24FN3O4

Spectral Data

2-[(4-Acetamidobenzyl)amino]-1,4-anhydro-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 1400
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/21/2022 4:17:10 PM
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Identificators

InChI InChI=1S/C21H24FN3O4/c1-13(26)25-17-8-2-14(3-9-17)10-23-18-12-29-19(20(18)27)11-24-21(28)15-4-6-16(22)7-5-15/h2-9,18-20,23,27H,10-12H2,1H3,(H,24,28)(H,25,26)/t18-,19-,20+/m1/s1
InChI Key XCEVCYACNXQUHI-AQNXPRMDSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)CNC2COC(C2O)CNC(=O)C3=CC=C(C=C3)F
CAS
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Other Names D-Arabinitol, 2-[[[4-(acetylamino)phenyl]methyl]amino]-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzoyl)amino]-;
NAT19-551472

In Other Databases

PubChem 75536642
ChemSpider 29858549