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

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Systematic / IUPAC Name: 1-[[(2R,3S,4R)-4-[(3-Cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea

ID: Reference11277

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[[(phenylamino)carbonyl]amino]-;
NAT19-551936

Formula: C20H22N4O3

Spectral Data

1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-5-[(phenylcarbamoyl)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 935
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/11/2022 10:48:19 AM
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Identificators

InChI InChI=1S/C20H22N4O3/c21-10-14-5-4-6-15(9-14)11-22-17-13-27-18(19(17)25)12-23-20(26)24-16-7-2-1-3-8-16/h1-9,17-19,22,25H,11-13H2,(H2,23,24,26)/t17-,18-,19+/m1/s1
InChI Key FXNUDXHUDBJXGF-QRVBRYPASA-N
Canonical SMILES C1C(C(C(O1)CNC(=O)NC2=CC=CC=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-[[(phenylamino)carbonyl]amino]-;
NAT19-551936

In Other Databases

PubChem 75536781
ChemSpider 29858707