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

enlarge

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

ID: Reference12491

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(trifluoromethyl)benzoyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269869

Formula: C22H18F6N2O5

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{[4-(trifluoromethyl)benzoyl]amino}-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 2752
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 10:29:49 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H18F6N2O5/c23-21(24,25)12-6-4-11(5-7-12)19(31)30-15-9-33-18-16(10-34-17(15)18)35-20(32)29-14-3-1-2-13(8-14)22(26,27)28/h1-8,15-18H,9-10H2,(H,29,32)(H,30,31)/t15-,16+,17+,18+/m0/s1
InChI Key GJYKDZKBEAHTRP-BSDSXHPESA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC(=O)C4=CC=C(C=C4)C(F)(F)F
CAS
Splash
Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(trifluoromethyl)benzoyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269869

In Other Databases

ChemSpider 10057715
PubChem 11883387