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

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

ID: Reference10815

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(cyclohexylmethyl)amino]-2,5-dideoxy-5-[4-(2-pyridinyl)-1H-1,2,3-triazol-1-yl]-;
NAT6-306401

Formula: C20H27N5O2

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylmethyl)amino]-2,5-dideoxy-5-[4-(2-pyridinyl)-1H-1,2,3-triazol-1-yl]-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 1945
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2021 8:49:18 AM
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Identificators

InChI InChI=1S/C20H27N5O2/c1-2-6-14(7-3-1)10-22-17-12-26-20-18(13-27-19(17)20)25-11-16(23-24-25)15-8-4-5-9-21-15/h4-5,8-9,11,14,17-20,22H,1-3,6-7,10,12-13H2/t17-,18-,19+,20+/m0/s1
InChI Key QNJQBGUZQPWEDX-VNTMZGSJSA-N
Canonical SMILES C1CCC(CC1)CNC2COC3C2OCC3N4C=C(N=N4)C5=CC=CC=N5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(cyclohexylmethyl)amino]-2,5-dideoxy-5-[4-(2-pyridinyl)-1H-1,2,3-triazol-1-yl]-;
NAT6-306401

In Other Databases

PubChem 40533380
ChemSpider 21384300