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

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Systematic / IUPAC Name: 1-[(3S,3aR,6R,6aS)-6-Phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference12481

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-5-O-(phenylmethyl)-2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-304392

Formula: C21H21F3N2O4

Spectral Data

1,4:3,6-Dianhydro-5-O-benzyl-2-deoxy-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 1290
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2023 1:32:42 PM
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Identificators

InChI InChI=1S/C21H21F3N2O4/c22-21(23,24)14-7-4-8-15(9-14)25-20(27)26-16-11-29-19-17(12-30-18(16)19)28-10-13-5-2-1-3-6-13/h1-9,16-19H,10-12H2,(H2,25,26,27)/t16-,17+,18+,19+/m0/s1
InChI Key UVNVYPOXDFZKGL-WJFTUGDTSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OCC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-5-O-(phenylmethyl)-2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-304392

In Other Databases

ChemSpider 10060820
PubChem 11886497