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N-{4-[5-(4-Fluorophenyl)-2-methanesulfinyl-3-(3-methoxypropyl)-3H-imidazol-4-yl]pyridin-2-yl}acetamide
SpectraBase Compound ID AK2VLDiarv1
InChI InChI=1S/C21H23FN4O3S/c1-14(27)24-18-13-16(9-10-23-18)20-19(15-5-7-17(22)8-6-15)25-21(30(3)28)26(20)11-4-12-29-2/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,27)
InChIKey ZXXIDSSQZCLAFX-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C21H23FN4O3S
Exact Mass 430.14749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiDXnAwPaPN
Name N-{4-[5-(4-Fluorophenyl)-2-methanesulfinyl-3-(3-methoxypropyl)-3H-imidazol-4-yl]pyridin-2-yl}acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23FN4O3S
InChI InChI=1S/C21H23FN4O3S/c1-14(27)24-18-13-16(9-10-23-18)20-19(15-5-7-17(22)8-6-15)25-21(30(3)28)26(20)11-4-12-29-2/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,27)
InChIKey ZXXIDSSQZCLAFX-UHFFFAOYSA-N
Instrument Name Agilent GC 6890plus/MSD 5973/ALS 7683
Ionization Type EI
Molecular Weight 430.498 g/mol
SMILES N(C(C)=O)c1cc(ccn1)-c1[n](c(nc1-c1ccc(cc1)F)S(=O)C)CCCOC
SPLASH splash10-014i-6039400000-2ef4970bc563bcd018eb
Source of Spectrum EP1853581B1
Wiley ID 1841756