5-Acetamido-1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-D-arabinitol

enlarge

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

ID: Reference11585

Other Names: D-Arabinitol, 5-(acetylamino)-1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-;
NAT19-551013

Formula: C13H22F2N2O3

Spectral Data

5-Acetamido-1,4-anhydro-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1411
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/19/2022 3:29:39 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H22F2N2O3/c1-8(18)16-6-11-12(19)10(7-20-11)17-9-2-4-13(14,15)5-3-9/h9-12,17,19H,2-7H2,1H3,(H,16,18)/t10-,11-,12+/m1/s1
InChI Key BHXWTVOGQYOFLA-UTUOFQBUSA-N
Canonical SMILES CC(=O)NCC1C(C(CO1)NC2CCC(CC2)(F)F)O
CAS
Splash
Other Names D-Arabinitol, 5-(acetylamino)-1,4-anhydro-2,5-dideoxy-2-[(4,4-difluorocyclohexyl)amino]-;
NAT19-551013

In Other Databases

PubChem 75536499
ChEMBL CHEMBL3437528
ChemSpider 29858372