Systematic / IUPAC Name: N-[4-[[(2S,4R)-2-[3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetamide
ID: Reference11073
Other Names: NAT18-348892
Formula: C22H23FN4O3
N-[4-({(2S,4R)-2-[3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-hydroxy-1-pyrrolidinyl}methyl)phenyl]acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1055 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 11/26/2021 10:55:04 AM |
InChI | InChI=1S/C22H23FN4O3/c1-13-3-6-16(9-19(13)23)21-25-22(30-26-21)20-10-18(29)12-27(20)11-15-4-7-17(8-5-15)24-14(2)28/h3-9,18,20,29H,10-12H2,1-2H3,(H,24,28)/t18-,20+/m1/s1 |
InChI Key | LJMLTMNWJIOWOT-QUCCMNQESA-N |
Canonical SMILES | CC1=C(C=C(C=C1)C2=NOC(=N2)C3CC(CN3CC4=CC=C(C=C4)NC(=O)C)O)F |
CAS | |
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Other Names | NAT18-348892 |