2,5-Anhydro-1,6-dideoxy-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-[(isopropylcarbamoyl)amino]-D-allitol

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Systematic / IUPAC Name: 1-[[(2R,3S,4R,5S)-5-[[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea

ID: Reference9126

Other Names: D-Allitol, 2,5-anhydro-1,6-dideoxy-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-350902

Formula: C18H23FN4O5

Spectral Data

2,5-Anhydro-1,6-dideoxy-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-[(isopropylcarbamoyl)amino]-D-allitol 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 1890
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 1:07:35 PM
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Identificators

InChI InChI=1S/C18H23FN4O5/c1-9(2)21-18(26)20-8-13-16(25)15(24)12(27-13)7-14-22-17(23-28-14)10-3-5-11(19)6-4-10/h3-6,9,12-13,15-16,24-25H,7-8H2,1-2H3,(H2,20,21,26)/t12-,13+,15-,16+/m0/s1
InChI Key MFEJDPJURGODKH-LQKXBSAESA-N
Canonical SMILES CC(C)NC(=O)NCC1C(C(C(O1)CC2=NC(=NO2)C3=CC=C(C=C3)F)O)O
CAS
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Other Names D-Allitol, 2,5-anhydro-1,6-dideoxy-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-350902

In Other Databases

ChemSpider 21386987
PubChem 25390136