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

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

ID: Reference9615

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, 5-[(4-methoxyphenyl)carbamate];
NAT6-270280

Formula: C22H22F3N3O6

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-[(4-methoxyphenyl)carbamoyl]-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-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 3077
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2020 6:31:13 AM
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Identificators

InChI InChI=1S/C22H22F3N3O6/c1-31-15-7-5-13(6-8-15)27-21(30)34-17-11-33-18-16(10-32-19(17)18)28-20(29)26-14-4-2-3-12(9-14)22(23,24)25/h2-9,16-19H,10-11H2,1H3,(H,27,30)(H2,26,28,29)/t16-,17+,18+,19+/m0/s1
InChI Key WGTPRCYMNXQYGT-WJFTUGDTSA-N
Canonical SMILES COC1=CC=C(C=C1)NC(=O)OC2COC3C2OCC3NC(=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-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, 5-[(4-methoxyphenyl)carbamate];
NAT6-270280

In Other Databases

PubChem 11884065
ChemSpider 10058393