1,4-Anhydro-2,5-dideoxy-5-(isonicotinoylamino)-2-{[4-(methylsulfonyl)benzyl]amino}-D-arabinitol

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

ID: Reference11720

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-5-[(4-pyridinylcarbonyl)amino]-;
NAT19-553986

Formula: C19H23N3O5S

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-(isonicotinoylamino)-2-{[4-(methylsulfonyl)benzyl]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 1972
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/6/2022 7:35:02 AM
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Identificators

InChI InChI=1S/C19H23N3O5S/c1-28(25,26)15-4-2-13(3-5-15)10-21-16-12-27-17(18(16)23)11-22-19(24)14-6-8-20-9-7-14/h2-9,16-18,21,23H,10-12H2,1H3,(H,22,24)/t16-,17-,18+/m1/s1
InChI Key DTESWEYAWHBJAK-KURKYZTESA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)CNC2COC(C2O)CNC(=O)C3=CC=NC=C3
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-5-[(4-pyridinylcarbonyl)amino]-;
NAT19-553986

In Other Databases

PubChem 75536798
ChemSpider 29858729