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

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

ID: Reference11938

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-5-[(4-morpholinylcarbonyl)amino]-;
NAT19-551876

Formula: C18H27N3O6S

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-{[4-(methylsulfonyl)benzyl]amino}-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 909
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/11/2022 1:58:44 PM
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Identificators

InChI InChI=1S/C18H27N3O6S/c1-28(24,25)14-4-2-13(3-5-14)10-19-15-12-27-16(17(15)22)11-20-18(23)21-6-8-26-9-7-21/h2-5,15-17,19,22H,6-12H2,1H3,(H,20,23)/t15-,16-,17+/m1/s1
InChI Key NDQYRFMBBDVIHQ-ZACQAIPSSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)CNC2COC(C2O)CNC(=O)N3CCOCC3
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-5-[(4-morpholinylcarbonyl)amino]-;
NAT19-551876

In Other Databases

ChemSpider 29858678
PubChem 75536757