2,5-Anhydro-4,6-dideoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)-D-galactitol

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Systematic / IUPAC Name: 1-[[(2R,3R,4S,5S)-4-Hydroxy-5-(hydroxymethyl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea

ID: Reference12697

Other Names: D-Galactitol, 2,5-anhydro-4,6-dideoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-;
NAT27-401397

Formula: C20H28F3N3O6

Spectral Data

2,5-Anhydro-4,6-dideoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)-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 2130
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/3/2023 12:00:22 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H28F3N3O6/c1-30-11-13-3-2-8-26(13)17-15(31-16(10-27)18(17)28)9-24-19(29)25-12-4-6-14(7-5-12)32-20(21,22)23/h4-7,13,15-18,27-28H,2-3,8-11H2,1H3,(H2,24,25,29)/t13-,15-,16+,17+,18-/m1/s1
InChI Key GIRHGSJYGXEJTL-FWEDZOCSSA-N
Canonical SMILES COCC1CCCN1C2C(OC(C2O)CO)CNC(=O)NC3=CC=C(C=C3)OC(F)(F)F
CAS
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Other Names D-Galactitol, 2,5-anhydro-4,6-dideoxy-4-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-6-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-;
NAT27-401397

In Other Databases

PubChem 28961828
ChemSpider 22807215