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

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

ID: Reference11342

Other Names: D-Arabinitol, 2-[[[4-(acetylamino)phenyl]methyl]amino]-1,4-anhydro-5-(benzoylamino)-2,5-dideoxy-;
NAT19-551422

Formula: C21H25N3O4

Spectral Data

2-[(4-Acetamidobenzyl)amino]-1,4-anhydro-5-(benzoylamino)-2,5-dideoxy-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 1375
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/8/2022 8:05:17 AM
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Identificators

InChI InChI=1S/C21H25N3O4/c1-14(25)24-17-9-7-15(8-10-17)11-22-18-13-28-19(20(18)26)12-23-21(27)16-5-3-2-4-6-16/h2-10,18-20,22,26H,11-13H2,1H3,(H,23,27)(H,24,25)/t18-,19-,20+/m1/s1
InChI Key DETJXDNIJRGCHQ-AQNXPRMDSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)CNC2COC(C2O)CNC(=O)C3=CC=CC=C3
CAS
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Other Names D-Arabinitol, 2-[[[4-(acetylamino)phenyl]methyl]amino]-1,4-anhydro-5-(benzoylamino)-2,5-dideoxy-;
NAT19-551422

In Other Databases

PubChem 75536623
ChemSpider 29858524