1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-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-cyclohexylcarbamate

ID: Reference11056

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl]-, 5-(cyclohexylcarbamate);
NAT6-296291

Formula: C22H30N6O4

Spectral Data

1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-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 759
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/26/2021 8:34:46 AM
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Identificators

InChI InChI=1S/C22H30N6O4/c1-27(2)16-10-8-14(9-11-16)21-24-25-26-28(21)17-12-30-20-18(13-31-19(17)20)32-22(29)23-15-6-4-3-5-7-15/h8-11,15,17-20H,3-7,12-13H2,1-2H3,(H,23,29)/t17-,18+,19+,20+/m0/s1
InChI Key GSKJIPYCYLQILY-MTQWCTHYSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NN=NN2C3COC4C3OCC4OC(=O)NC5CCCCC5
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-(cyclohexylcarbamate);
NAT6-296291

In Other Databases

PubChem 11867500
ChemSpider 10041833