1,4:3,6-Dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-{[4-(dimethylamino)benzyl]amino}-L-iditol

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

ID: Reference10912

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-[[[4-(dimethylamino)phenyl]methyl]amino]-;
NAT6-306522

Formula: C24H35N5O2

Spectral Data

1,4:3,6-Dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-{[4-(dimethylamino)benzyl]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
No. of Spectral Trees 1
No. of Spectra 595
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/1/2021 10:27:47 AM
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Identificators

InChI InChI=1S/C24H35N5O2/c1-28(2)20-10-8-18(9-11-20)13-25-21-15-30-24-22(16-31-23(21)24)29-14-19(26-27-29)12-17-6-4-3-5-7-17/h8-11,14,17,21-25H,3-7,12-13,15-16H2,1-2H3/t21-,22-,23+,24+/m0/s1
InChI Key KJHICENDBTYHPS-CJRSTVEYSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)CNC2COC3C2OCC3N4C=C(N=N4)CC5CCCCC5
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-[[[4-(dimethylamino)phenyl]methyl]amino]-;
NAT6-306522

In Other Databases

ChemSpider 10085839
PubChem 11911516