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

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

ID: Reference12804

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(4-morpholinylcarbonyl)amino]-;
NAT19-551886

Formula: C18H24N4O4

Spectral Data

1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-5-[(4-morpholinylcarbonyl)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 1055
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/6/2023 9:08:13 AM
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Identificators

InChI InChI=1S/C18H24N4O4/c19-9-13-2-1-3-14(8-13)10-20-15-12-26-16(17(15)23)11-21-18(24)22-4-6-25-7-5-22/h1-3,8,15-17,20,23H,4-7,10-12H2,(H,21,24)/t15-,16-,17+/m1/s1
InChI Key WHZYLGJNCAGDPQ-ZACQAIPSSA-N
Canonical SMILES C1COCCN1C(=O)NCC2C(C(CO2)NCC3=CC(=CC=C3)C#N)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(4-morpholinylcarbonyl)amino]-;
NAT19-551886

In Other Databases

ChemSpider 29858683
PubChem 75536762