1,4:3,6-Dianhydro-2-(benzylamino)-5-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-L-iditol

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Systematic / IUPAC Name: (3S,3aR,6S,6aR)-N-Benzyl-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine

ID: Reference12709

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-[(phenylmethyl)amino]-;
NAT6-306520

Formula: C22H30N4O2

Spectral Data

1,4:3,6-Dianhydro-2-(benzylamino)-5-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-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
No. of Spectral Trees 1
No. of Spectra 1329
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/15/2023 11:14:12 AM
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Identificators

InChI InChI=1S/C22H30N4O2/c1-3-7-16(8-4-1)11-18-13-26(25-24-18)20-15-28-21-19(14-27-22(20)21)23-12-17-9-5-2-6-10-17/h2,5-6,9-10,13,16,19-23H,1,3-4,7-8,11-12,14-15H2/t19-,20-,21+,22+/m0/s1
InChI Key GFRVNDBWOSRHOR-FNAHDJPLSA-N
Canonical SMILES C1CCC(CC1)CC2=CN(N=N2)C3COC4C3OCC4NCC5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-[(phenylmethyl)amino]-;
NAT6-306520

In Other Databases

ChemSpider 10086277
PubChem 11911954