1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-5-{[4-(trifluoromethyl)benzoyl]amino}-L-iditol

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

ID: Reference12456

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-5-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT6-298517

Formula: C23H19F3N8O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-5-{[4-(trifluoromethyl)benzoyl]amino}-L-iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1650
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/14/2023 11:54:41 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H19F3N8O4/c24-23(25,26)14-3-1-13(2-4-14)21(35)29-17-9-36-20-18(10-37-19(17)20)34-22(30-31-32-34)38-16-7-5-15(6-8-16)33-12-27-11-28-33/h1-8,11-12,17-20H,9-10H2,(H,29,35)/t17-,18-,19+,20+/m0/s1
InChI Key ZBJAJKGBZDSFQO-VNTMZGSJSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)OC4=CC=C(C=C4)N5C=NC=N5)NC(=O)C6=CC=C(C=C6)C(F)(F)F
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-5-[[4-(trifluoromethyl)benzoyl]amino]-;
NAT6-298517

In Other Databases

ChemSpider 10060574
PubChem 11886251