2,5-Anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-dideoxy-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R,5S)-3,4-Dihydroxy-5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]oxolan-2-yl]methyl]cyclopropanecarboxamide

ID: Reference9125

Other Names: D-Allitol, 2,5-anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-dideoxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-;
NAT19-350905

Formula: C19H20F3N3O6

Spectral Data

2,5-Anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-dideoxy-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 3870
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 1:03:24 PM
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Identificators

InChI InChI=1S/C19H20F3N3O6/c20-19(21,22)30-11-5-3-9(4-6-11)17-24-14(31-25-17)7-12-15(26)16(27)13(29-12)8-23-18(28)10-1-2-10/h3-6,10,12-13,15-16,26-27H,1-2,7-8H2,(H,23,28)/t12-,13+,15-,16+/m0/s1
InChI Key NZUACDPYZOMOFD-LQKXBSAESA-N
Canonical SMILES C1CC1C(=O)NCC2C(C(C(O2)CC3=NC(=NO3)C4=CC=C(C=C4)OC(F)(F)F)O)O
CAS
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Other Names D-Allitol, 2,5-anhydro-6-[(cyclopropylcarbonyl)amino]-1,6-dideoxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-;
NAT19-350905

In Other Databases

PubChem 25390144
ChemSpider 21386990