1,4:3,6-Dianhydro-2-deoxy-2-{5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl}-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[5-[4-(Dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference12019

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-296294

Formula: C23H23F3N6O4

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl}-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1491
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/2/2022 9:01:36 AM
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Identificators

InChI InChI=1S/C23H23F3N6O4/c1-31(2)16-8-6-13(7-9-16)21-28-29-30-32(21)17-11-34-20-18(12-35-19(17)20)36-22(33)27-15-5-3-4-14(10-15)23(24,25)26/h3-10,17-20H,11-12H2,1-2H3,(H,27,33)/t17-,18+,19+,20+/m0/s1
InChI Key JKIVHQKEGKGJPB-MTQWCTHYSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NN=NN2C3COC4C3OCC4OC(=O)NC5=CC=CC(=C5)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-296294

In Other Databases

PubChem 11867501
ChemSpider 10041834