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

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-3-Hydroxy-4-(pyridin-3-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide

ID: Reference11545

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[(3-pyridinylmethyl)amino]-;
NAT19-551078

Formula: C17H27N3O3

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-2-[(3-pyridinylmethyl)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 1723
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/11/2022 8:43:34 AM
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Identificators

InChI InChI=1S/C17H27N3O3/c1-17(2,3)7-15(21)20-10-14-16(22)13(11-23-14)19-9-12-5-4-6-18-8-12/h4-6,8,13-14,16,19,22H,7,9-11H2,1-3H3,(H,20,21)/t13-,14-,16+/m1/s1
InChI Key XXVJBJKCPZOVSQ-FMKPAKJESA-N
Canonical SMILES CC(C)(C)CC(=O)NCC1C(C(CO1)NCC2=CN=CC=C2)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[(3-pyridinylmethyl)amino]-;
NAT19-551078

In Other Databases

PubChem 75536526
ChemSpider 29858406