1,4:3,6-Dianhydro-2-deoxy-5-O-(ethylcarbamoyl)-2-[(phenylcarbamoyl)amino]-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-(Phenylcarbamoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate

ID: Reference9505

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[(phenylamino)carbonyl]amino]-, 5-(ethylcarbamate);
NAT6-270471

Formula: C16H21N3O5

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-(ethylcarbamoyl)-2-[(phenylcarbamoyl)amino]-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 2
No. of Spectra 3775
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/19/2020 6:34:38 AM
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Identificators

InChI InChI=1S/C16H21N3O5/c1-2-17-16(21)24-12-9-23-13-11(8-22-14(12)13)19-15(20)18-10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3,(H,17,21)(H2,18,19,20)/t11-,12+,13+,14+/m0/s1
InChI Key BQZDTRKMIRNXJT-REWJHTLYSA-N
Canonical SMILES CCNC(=O)OC1COC2C1OCC2NC(=O)NC3=CC=CC=C3
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[(phenylamino)carbonyl]amino]-, 5-(ethylcarbamate);
NAT6-270471

In Other Databases

PubChem 11884128
ChemSpider 10058456