2-[(4-Acetamidobenzyl)amino]-1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-4-[(4-Acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

ID: Reference11526

Other Names: D-Arabinitol, 2-[[[4-(acetylamino)phenyl]methyl]amino]-1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-;
NAT19-551072

Formula: C20H31N3O4

Spectral Data

2-[(4-Acetamidobenzyl)amino]-1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)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 1193
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2022 10:05:44 AM
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Identificators

InChI InChI=1S/C20H31N3O4/c1-13(24)23-15-7-5-14(6-8-15)10-21-16-12-27-17(19(16)26)11-22-18(25)9-20(2,3)4/h5-8,16-17,19,21,26H,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-,17-,19+/m1/s1
InChI Key NDWFDIPYMBKMDB-LMMKCTJWSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)CNC2COC(C2O)CNC(=O)CC(C)(C)C
CAS
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Other Names D-Arabinitol, 2-[[[4-(acetylamino)phenyl]methyl]amino]-1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-;
NAT19-551072

In Other Databases

PubChem 75536522
ChemSpider 29858402