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

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

ID: Reference11430

Other Names: D-Arabinitol, 1,4-anhydro-5-(benzoylamino)-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-;
NAT19-551436

Formula: C20H21N3O3

Spectral Data

1,4-Anhydro-5-(benzoylamino)-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-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 1660
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/3/2022 2:54:35 PM
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Identificators

InChI InChI=1S/C20H21N3O3/c21-10-14-5-4-6-15(9-14)11-22-17-13-26-18(19(17)24)12-23-20(25)16-7-2-1-3-8-16/h1-9,17-19,22,24H,11-13H2,(H,23,25)/t17-,18-,19+/m1/s1
InChI Key MDEBTWXTICHSAP-QRVBRYPASA-N
Canonical SMILES C1C(C(C(O1)CNC(=O)C2=CC=CC=C2)O)NCC3=CC(=CC=C3)C#N
CAS
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Other Names D-Arabinitol, 1,4-anhydro-5-(benzoylamino)-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-;
NAT19-551436

In Other Databases

ChemSpider 29858531
PubChem 75536631