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

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

ID: Reference11914

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(2-methoxyacetyl)amino]-;
NAT19-551286

Formula: C16H21N3O4

Spectral Data

1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-5-[(methoxyacetyl)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 1200
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2022 8:38:30 AM
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Identificators

InChI InChI=1S/C16H21N3O4/c1-22-10-15(20)19-8-14-16(21)13(9-23-14)18-7-12-4-2-3-11(5-12)6-17/h2-5,13-14,16,18,21H,7-10H2,1H3,(H,19,20)/t13-,14-,16+/m1/s1
InChI Key LQJWRBXHQCORRD-FMKPAKJESA-N
Canonical SMILES COCC(=O)NCC1C(C(CO1)NCC2=CC(=CC=C2)C#N)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(2-methoxyacetyl)amino]-;
NAT19-551286

In Other Databases

ChemSpider 29858482
PubChem 75536587