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

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

ID: Reference12486

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[[(3-cyanophenyl)amino]carbonyl]amino]-2-deoxy-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269896

Formula: C22H19F3N4O5

Spectral Data

1,4:3,6-Dianhydro-2-{[(3-cyanophenyl)carbamoyl]amino}-2-deoxy-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2073
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 9:37:06 AM
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Identificators

InChI InChI=1S/C22H19F3N4O5/c23-22(24,25)13-4-2-6-15(8-13)28-21(31)34-17-11-33-18-16(10-32-19(17)18)29-20(30)27-14-5-1-3-12(7-14)9-26/h1-8,16-19H,10-11H2,(H,28,31)(H2,27,29,30)/t16-,17+,18+,19+/m0/s1
InChI Key MZBRKZUAKZQPKI-WJFTUGDTSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC(=O)NC4=CC=CC(=C4)C#N
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-[[[(3-cyanophenyl)amino]carbonyl]amino]-2-deoxy-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269896

In Other Databases

ChemSpider 10057731
PubChem 11883403