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

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

ID: Reference9596

Other Names: D-Glucitol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2-deoxy-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269907

Formula: C23H22F3N3O6

Spectral Data

2-{[(4-Acetylphenyl)carbamoyl]amino}-1,4:3,6-dianhydro-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 3377
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 7:45:56 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H22F3N3O6/c1-12(30)13-5-7-15(8-6-13)27-21(31)29-17-10-33-20-18(11-34-19(17)20)35-22(32)28-16-4-2-3-14(9-16)23(24,25)26/h2-9,17-20H,10-11H2,1H3,(H,28,32)(H2,27,29,31)/t17-,18+,19+,20+/m0/s1
InChI Key MZVMAAVHUZYXNX-MTQWCTHYSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)NC2COC3C2OCC3OC(=O)NC4=CC=CC(=C4)C(F)(F)F
CAS
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Other Names D-Glucitol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2-deoxy-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269907

In Other Databases

ChemSpider 10057734
PubChem 11883406