![N-(3-[3-[5-[[(2(S)-Azetidinyl)methoxy]-3-pyridyl]phenyl]propyl]acetamide Trifluoroacetate](/api/spectrum/ETTsDYldEo/structure.png?h=300&w=458 "N-(3-[3-[5-[[(2(S)-Azetidinyl)methoxy]-3-pyridyl]phenyl]propyl]acetamide Trifluoroacetate")
| SpectraBase Compound ID | KLdrzFF8YU6 |
|---|---|
| InChI | InChI=1S/C20H25N3O2.C2HF3O2/c1-15(24)22-8-3-5-16-4-2-6-17(10-16)18-11-20(13-21-12-18)25-14-19-7-9-23-19;3-2(4,5)1(6)7/h2,4,6,10-13,19,23H,3,5,7-9,14H2,1H3,(H,22,24);(H,6,7)/p-1/t19-;/m0./s1 |
| InChIKey | SWPMMYRUGAFIIC-FYZYNONXSA-M |
| Mol Weight | 452.454 g/mol |
| Molecular Formula | C22H25F3N3O4 |
| Exact Mass | 452.179716 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ETTsDYldEo |
|---|---|
| Name | N-(3-[3-[5-[[(2(S)-Azetidinyl)methoxy]-3-pyridyl]phenyl]propyl]acetamide Trifluoroacetate |
| Appearance | Colorless glass |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H25F3N3O4 |
| InChI | InChI=1S/C20H25N3O2.C2HF3O2/c1-15(24)22-8-3-5-16-4-2-6-17(10-16)18-11-20(13-21-12-18)25-14-19-7-9-23-19;3-2(4,5)1(6)7/h2,4,6,10-13,19,23H,3,5,7-9,14H2,1H3,(H,22,24);(H,6,7)/p-1/t19-;/m0./s1 |
| InChIKey | SWPMMYRUGAFIIC-FYZYNONXSA-M |
| Ionization Type | EI |
| Molecular Weight | 452.454 g/mol |
| Optical Rotation | [a]D546 = -4.3 (c = 3.45 g/L, MeOH) |
| SMILES | N(CCCc1cccc(-c2cc(OC[C@]3(NCC3)[H])cnc2)c1)C(=O)C.C(F)(F)(F)C([O-])=O |
| SPLASH | splash10-053r-9160000000-093237055ab90b83e022 |
| Source of Spectrum | US20100152450A1 |
| Wiley ID | 1842423 |