1,4:3,6-Dianhydro-2-[5-(1,3-benzodioxol-5-yl)-1H-tetrazol-1-yl]-2,5-dideoxy-5-[(4-methylbenzoyl)amino]-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-6-[5-(1,3-Benzodioxol-5-yl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methylbenzamide

ID: Reference8841

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[5-(1,3-benzodioxol-5-yl)-1H-tetrazol-1-yl]-2,5-dideoxy-5-[(4-methylbenzoyl)amino]-;
NAT6-307070

Formula: C22H21N5O5

Spectral Data

1,4:3,6-Dianhydro-2-[5-(1,3-benzodioxol-5-yl)-1H-tetrazol-1-yl]-2,5-dideoxy-5-[(4-methylbenzoyl)amino]-L-iditol 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 3625
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 7:35:21 AM
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Identificators

InChI InChI=1S/C22H21N5O5/c1-12-2-4-13(5-3-12)22(28)23-15-9-29-20-16(10-30-19(15)20)27-21(24-25-26-27)14-6-7-17-18(8-14)32-11-31-17/h2-8,15-16,19-20H,9-11H2,1H3,(H,23,28)/t15-,16-,19+,20+/m0/s1
InChI Key YVSPIQMDOZUQKQ-XAMWDVODSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)NC2COC3C2OCC3N4C(=NN=N4)C5=CC6=C(C=C5)OCO6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[5-(1,3-benzodioxol-5-yl)-1H-tetrazol-1-yl]-2,5-dideoxy-5-[(4-methylbenzoyl)amino]-;
NAT6-307070

In Other Databases

ChemSpider 10061570
PubChem 11887247