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

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

ID: Reference11357

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(4-pyridinylcarbonyl)amino]-;
NAT19-553991

Formula: C19H20N4O3

Spectral Data

1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-5-(isonicotinoylamino)-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 1525
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/14/2022 7:00:18 AM
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Identificators

InChI InChI=1S/C19H20N4O3/c20-9-13-2-1-3-14(8-13)10-22-16-12-26-17(18(16)24)11-23-19(25)15-4-6-21-7-5-15/h1-8,16-18,22,24H,10-12H2,(H,23,25)/t16-,17-,18+/m1/s1
InChI Key KNLGTAVRXVXXSM-KURKYZTESA-N
Canonical SMILES C1C(C(C(O1)CNC(=O)C2=CC=NC=C2)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-pyridinylcarbonyl)amino]-;
NAT19-553991

In Other Databases

ChemSpider 29858734
PubChem 75536802