1,4:3,6-Dianhydro-2,5-dideoxy-2-(5-phenoxy-1H-tetrazol-1-yl)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-L-iditol

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

ID: Reference8975

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-(5-phenoxy-1H-tetrazol-1-yl)-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-298134

Formula: C21H19F3N6O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-(5-phenoxy-1H-tetrazol-1-yl)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-L-iditol 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2734
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/7/2019 10:55:01 AM
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Identificators

InChI InChI=1S/C21H19F3N6O4/c22-21(23,24)12-5-4-6-13(9-12)25-19(31)26-15-10-32-18-16(11-33-17(15)18)30-20(27-28-29-30)34-14-7-2-1-3-8-14/h1-9,15-18H,10-11H2,(H2,25,26,31)/t15-,16-,17+,18+/m0/s1
InChI Key SMEFMAGOMKZXGG-WNRNVDISSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)OC4=CC=CC=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-(5-phenoxy-1H-tetrazol-1-yl)-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-298134

In Other Databases

PubChem 11886185
ChemSpider 10060508