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

ID: Reference12408

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl]-, 5-[(3-cyanophenyl)carbamate];
NAT6-296314

Formula: C23H23N7O4

Spectral Data

1,4:3,6-Dianhydro-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-2-{5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl}-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 2060
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/24/2023 1:32:47 PM
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Identificators

InChI InChI=1S/C23H23N7O4/c1-29(2)17-8-6-15(7-9-17)22-26-27-28-30(22)18-12-32-21-19(13-33-20(18)21)34-23(31)25-16-5-3-4-14(10-16)11-24/h3-10,18-21H,12-13H2,1-2H3,(H,25,31)/t18-,19+,20+,21+/m0/s1
InChI Key BXXYBBSAGKQKCD-DOIPELPJSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NN=NN2C3COC4C3OCC4OC(=O)NC5=CC=CC(=C5)C#N
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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-cyanophenyl)carbamate];
NAT6-296314

In Other Databases

PubChem 11879546
ChemSpider 10053874