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

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

ID: Reference12510

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[[(phenylmethyl)amino]carbonyl]amino]-5-[4-(2-pyridinyl)-1H-1,2,3-triazol-1-yl]-;
NAT6-306354

Formula: C21H22N6O3

Spectral Data

1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)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 1980
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 11:55:03 AM
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Identificators

InChI InChI=1S/C21H22N6O3/c28-21(23-10-14-6-2-1-3-7-14)24-17-12-29-20-18(13-30-19(17)20)27-11-16(25-26-27)15-8-4-5-9-22-15/h1-9,11,17-20H,10,12-13H2,(H2,23,24,28)/t17-,18-,19+,20+/m0/s1
InChI Key UTKBHTMSFUQKPM-VNTMZGSJSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C=C(N=N3)C4=CC=CC=N4)NC(=O)NCC5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[[(phenylmethyl)amino]carbonyl]amino]-5-[4-(2-pyridinyl)-1H-1,2,3-triazol-1-yl]-;
NAT6-306354

In Other Databases

PubChem 40533374
ChemSpider 21384291