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

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

ID: Reference11036

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[(4-morpholinylcarbonyl)amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269880

Formula: C19H22F3N3O6

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-[(4-morpholinylcarbonyl)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 1596
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/19/2021 11:32:25 AM
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Identificators

InChI InChI=1S/C19H22F3N3O6/c20-19(21,22)11-2-1-3-12(8-11)23-18(27)31-14-10-30-15-13(9-29-16(14)15)24-17(26)25-4-6-28-7-5-25/h1-3,8,13-16H,4-7,9-10H2,(H,23,27)(H,24,26)/t13-,14+,15+,16+/m0/s1
InChI Key AZBWBUBUPHBZQX-ZJIFWQFVSA-N
Canonical SMILES C1COCCN1C(=O)NC2COC3C2OCC3OC(=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-morpholinylcarbonyl)amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269880

In Other Databases

ChemSpider 10057724
PubChem 11883396