1,4:3,6-Dianhydro-2-deoxy-2-{[4-(dimethylamino)benzyl]amino}-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[[4-(Dimethylamino)phenyl]methylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference12382

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[4-(dimethylamino)phenyl]methyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-282254

Formula: C23H26F3N3O4

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{[4-(dimethylamino)benzyl]amino}-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol 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 601
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 3:09:36 PM
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Identificators

InChI InChI=1S/C23H26F3N3O4/c1-29(2)17-8-6-14(7-9-17)11-27-18-12-31-21-19(13-32-20(18)21)33-22(30)28-16-5-3-4-15(10-16)23(24,25)26/h3-10,18-21,27H,11-13H2,1-2H3,(H,28,30)/t18-,19+,20+,21+/m0/s1
InChI Key WXSVILKGJMNYCG-DOIPELPJSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)CNC2COC3C2OCC3OC(=O)NC4=CC=CC(=C4)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[4-(dimethylamino)phenyl]methyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-282254

In Other Databases

ChemSpider 10041769
PubChem 11867436