1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-5-[(2-thienylcarbonyl)amino]-D-arabinitol

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

ID: Reference11355

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(2-thienylcarbonyl)amino]-;
NAT19-551336

Formula: C18H19N3O3S

Spectral Data

1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-5-[(2-thienylcarbonyl)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 1635
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/14/2022 6:57:47 AM
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Identificators

InChI InChI=1S/C18H19N3O3S/c19-8-12-3-1-4-13(7-12)9-20-14-11-24-15(17(14)22)10-21-18(23)16-5-2-6-25-16/h1-7,14-15,17,20,22H,9-11H2,(H,21,23)/t14-,15-,17+/m1/s1
InChI Key HBEWIKYEFZPBNE-INMHGKMJSA-N
Canonical SMILES C1C(C(C(O1)CNC(=O)C2=CC=CS2)O)NCC3=CC(=CC=C3)C#N
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(2-thienylcarbonyl)amino]-;
NAT19-551336

In Other Databases

PubChem 75536609
ChemSpider 29858506