2-(5-Allyl-1H-tetrazol-1-yl)-1,4:3,6-dianhydro-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-(5-Prop-2-enyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-cyanophenyl)carbamate

ID: Reference13089

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-(2-propen-1-yl)-1H-tetrazol-1-yl]-, 5-[(3-cyanophenyl)carbamate];
NAT6-296638

Formula: C18H18N6O4

Spectral Data

2-(5-Allyl-1H-tetrazol-1-yl)-1,4:3,6-dianhydro-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-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 835
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/5/2024 12:48:56 PM
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Identificators

InChI InChI=1S/C18H18N6O4/c1-2-4-15-21-22-23-24(15)13-9-26-17-14(10-27-16(13)17)28-18(25)20-12-6-3-5-11(7-12)8-19/h2-3,5-7,13-14,16-17H,1,4,9-10H2,(H,20,25)/t13-,14+,16+,17+/m0/s1
InChI Key NABOHNGKVMLHKP-XOSAIJSUSA-N
Canonical SMILES C=CCC1=NN=NN1C2COC3C2OCC3OC(=O)NC4=CC=CC(=C4)C#N
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-(2-propen-1-yl)-1H-tetrazol-1-yl]-, 5-[(3-cyanophenyl)carbamate];
NAT6-296638

In Other Databases

PubChem 11886105
ChemSpider 10060428