2,5-Anhydro-6-[(3-chloro-4-fluorobenzoyl)amino]-4,6-dideoxy-4-(1-pyrrolidinyl)-D-galactitol

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Systematic / IUPAC Name: 3-Chloro-4-fluoro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]benzamide

ID: Reference11242

Other Names: D-Galactitol, 2,5-anhydro-6-[(3-chloro-4-fluorobenzoyl)amino]-4,6-dideoxy-4-(1-pyrrolidinyl)-;
NAT27-401238

Formula: C17H22ClFN2O4

Spectral Data

2,5-Anhydro-6-[(3-chloro-4-fluorobenzoyl)amino]-4,6-dideoxy-4-(1-pyrrolidinyl)-D-galactitol 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 874
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/25/2022 11:18:05 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H22ClFN2O4/c18-11-7-10(3-4-12(11)19)17(24)20-8-13-15(21-5-1-2-6-21)16(23)14(9-22)25-13/h3-4,7,13-16,22-23H,1-2,5-6,8-9H2,(H,20,24)/t13-,14+,15+,16-/m1/s1
InChI Key VVYZTEQCBDCHPW-FXUDXRNXSA-N
Canonical SMILES C1CCN(C1)C2C(OC(C2O)CO)CNC(=O)C3=CC(=C(C=C3)F)Cl
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Other Names D-Galactitol, 2,5-anhydro-6-[(3-chloro-4-fluorobenzoyl)amino]-4,6-dideoxy-4-(1-pyrrolidinyl)-;
NAT27-401238

In Other Databases

ChemSpider 22807103
PubChem 28961532