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

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

ID: Reference11276

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-5-[[(phenylamino)carbonyl]amino]-;
NAT19-551926

Formula: C20H25N3O5S

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-{[4-(methylsulfonyl)benzyl]amino}-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 904
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/11/2022 10:44:47 AM
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Identificators

InChI InChI=1S/C20H25N3O5S/c1-29(26,27)16-9-7-14(8-10-16)11-21-17-13-28-18(19(17)24)12-22-20(25)23-15-5-3-2-4-6-15/h2-10,17-19,21,24H,11-13H2,1H3,(H2,22,23,25)/t17-,18-,19+/m1/s1
InChI Key LSNPWSIKGFQSCU-QRVBRYPASA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)CNC2COC(C2O)CNC(=O)NC3=CC=CC=C3
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[[4-(methylsulfonyl)phenyl]methyl]amino]-5-[[(phenylamino)carbonyl]amino]-;
NAT19-551926

In Other Databases

ChemSpider 29858702
PubChem 75536776