1,4-Anhydro-2,5-dideoxy-2-[(2,2-dimethylpropyl)amino]-5-(isonicotinoylamino)-D-arabinitol

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

ID: Reference12811

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(2,2-dimethylpropyl)amino]-5-[(4-pyridinylcarbonyl)amino]-;
NAT19-553976

Formula: C16H25N3O3

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-[(2,2-dimethylpropyl)amino]-5-(isonicotinoylamino)-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 1711
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/9/2023 11:09:36 AM
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Identificators

InChI InChI=1S/C16H25N3O3/c1-16(2,3)10-19-12-9-22-13(14(12)20)8-18-15(21)11-4-6-17-7-5-11/h4-7,12-14,19-20H,8-10H2,1-3H3,(H,18,21)/t12-,13-,14+/m1/s1
InChI Key HMRRVJOEUHHCAB-MCIONIFRSA-N
Canonical SMILES CC(C)(C)CNC1COC(C1O)CNC(=O)C2=CC=NC=C2
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(2,2-dimethylpropyl)amino]-5-[(4-pyridinylcarbonyl)amino]-;
NAT19-553976

In Other Databases

PubChem 75367111
ChemSpider 29858722
ChEMBL CHEMBL3437036