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

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

ID: Reference9595

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[(ethylamino)carbonyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269900

Formula: C17H20F3N3O5

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-[(ethylcarbamoyl)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 1870
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 7:42:54 AM
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Identificators

InChI InChI=1S/C17H20F3N3O5/c1-2-21-15(24)23-11-7-26-14-12(8-27-13(11)14)28-16(25)22-10-5-3-4-9(6-10)17(18,19)20/h3-6,11-14H,2,7-8H2,1H3,(H,22,25)(H2,21,23,24)/t11-,12+,13+,14+/m0/s1
InChI Key ZZOFUBIVESQHPU-REWJHTLYSA-N
Canonical SMILES CCNC(=O)NC1COC2C1OCC2OC(=O)NC3=CC=CC(=C3)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[(ethylamino)carbonyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269900

In Other Databases

ChemSpider 10057732
PubChem 11883404