1,4-Anhydro-5-(benzoylamino)-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-D-arabinitol

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

ID: Reference2904

Other Names: D-Arabinitol, 1,4-anhydro-5-(benzoylamino)-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-;
NAT19-551413

Formula: C18H24F2N2O3

Spectral Data

1,4-Anhydro-5-(benzoylamino)-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)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 1745
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/22/2022 7:03:29 PM
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Identificators

InChI InChI=1S/C18H24F2N2O3/c19-18(20)8-6-13(7-9-18)22-14-11-25-15(16(14)23)10-21-17(24)12-4-2-1-3-5-12/h1-5,13-16,22-23H,6-11H2,(H,21,24)/t14-,15-,16+/m1/s1
InChI Key MZACNPRHXLSBKE-OAGGEKHMSA-N
Canonical SMILES C1CC(CCC1NC2COC(C2O)CNC(=O)C3=CC=CC=C3)(F)F
CAS
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Other Names D-Arabinitol, 1,4-anhydro-5-(benzoylamino)-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-;
NAT19-551413

In Other Databases

PubChem 75536617
ChemSpider 29858516
ChEMBL CHEMBL3437379