2,5-Anhydro-4,6-dideoxy-4-{methyl[2-(2-pyridinyl)ethyl]amino}-6-{[4-(trifluoromethyl)benzoyl]amino}-D-galactitol

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Systematic / IUPAC Name: N-[[(2R,3R,4S,5S)-4-Hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]-4-(trifluoromethyl)benzamide

ID: Reference12138

Other Names: D-Galactitol, 2,5-anhydro-4,6-dideoxy-4-[methyl[2-(2-pyridinyl)ethyl]amino]-6-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT27-401671

Formula: C22H26F3N3O4

Spectral Data

2,5-Anhydro-4,6-dideoxy-4-{methyl[2-(2-pyridinyl)ethyl]amino}-6-{[4-(trifluoromethyl)benzoyl]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 650
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/16/2023 1:49:50 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H26F3N3O4/c1-28(11-9-16-4-2-3-10-26-16)19-17(32-18(13-29)20(19)30)12-27-21(31)14-5-7-15(8-6-14)22(23,24)25/h2-8,10,17-20,29-30H,9,11-13H2,1H3,(H,27,31)/t17-,18+,19+,20-/m1/s1
InChI Key NEVADOILGRUXIQ-FUMNGEBKSA-N
Canonical SMILES CN(CCC1=CC=CC=N1)C2C(OC(C2O)CO)CNC(=O)C3=CC=C(C=C3)C(F)(F)F
CAS
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Other Names D-Galactitol, 2,5-anhydro-4,6-dideoxy-4-[methyl[2-(2-pyridinyl)ethyl]amino]-6-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT27-401671

In Other Databases

ChemSpider 22936911
PubChem 38026621