2,5-Anhydro-4-[benzyl(methyl)amino]-6-{[(3-chlorophenyl)carbamoyl]amino}-4,6-dideoxy-D-glucitol

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Systematic / IUPAC Name: 1-[[(2R,3S,4S,5S)-3-[Benzyl(methyl)amino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-(3-chlorophenyl)urea

ID: Reference10909

Other Names: D-Glucitol, 2,5-anhydro-6-[[[(3-chlorophenyl)amino]carbonyl]amino]-4,6-dideoxy-4-[methyl(phenylmethyl)amino]-;
NAT27-401722

Formula: C21H26ClN3O4

Spectral Data

2,5-Anhydro-4-[benzyl(methyl)amino]-6-{[(3-chlorophenyl)carbamoyl]amino}-4,6-dideoxy-D-glucitol 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 1395
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/1/2021 8:07:20 AM
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Identificators

InChI InChI=1S/C21H26ClN3O4/c1-25(12-14-6-3-2-4-7-14)19-17(29-18(13-26)20(19)27)11-23-21(28)24-16-9-5-8-15(22)10-16/h2-10,17-20,26-27H,11-13H2,1H3,(H2,23,24,28)/t17-,18+,19-,20-/m1/s1
InChI Key CKHLFRKIDNAUNP-IYWMVGAKSA-N
Canonical SMILES CN(CC1=CC=CC=C1)C2C(OC(C2O)CO)CNC(=O)NC3=CC(=CC=C3)Cl
CAS
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Other Names D-Glucitol, 2,5-anhydro-6-[[[(3-chlorophenyl)amino]carbonyl]amino]-4,6-dideoxy-4-[methyl(phenylmethyl)amino]-;
NAT27-401722

In Other Databases

PubChem 28962329
ChemSpider 22807441