2,5-Anhydro-1,6-dideoxy-6-(2-furoylamino)-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R,5S)-3,4-Dihydroxy-5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]oxolan-2-yl]methyl]furan-2-carboxamide

ID: Reference12363

Other Names: D-Allitol, 2,5-anhydro-1,6-dideoxy-6-[(2-furanylcarbonyl)amino]-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-;
NAT19-350906

Formula: C20H18F3N3O7

Spectral Data

2,5-Anhydro-1,6-dideoxy-6-(2-furoylamino)-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2267
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 12:06:23 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H18F3N3O7/c21-20(22,23)32-11-5-3-10(4-6-11)18-25-15(33-26-18)8-13-16(27)17(28)14(31-13)9-24-19(29)12-2-1-7-30-12/h1-7,13-14,16-17,27-28H,8-9H2,(H,24,29)/t13-,14+,16-,17+/m0/s1
InChI Key NZDWZPUFQZFDFU-HDEZJCGLSA-N
Canonical SMILES C1=COC(=C1)C(=O)NCC2C(C(C(O2)CC3=NC(=NO3)C4=CC=C(C=C4)OC(F)(F)F)O)O
CAS
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Other Names D-Allitol, 2,5-anhydro-1,6-dideoxy-6-[(2-furanylcarbonyl)amino]-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-;
NAT19-350906

In Other Databases

PubChem 25390146
ChemSpider 21386991