Systematic / IUPAC Name: 1-[(1S,4S,6S)-4-[[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-2-ylmethyl)methanamine
ID: Reference12185
Other Names: NAT28-414519
Formula: C26H31FN4O
1-[(1S,4S,6S)-4-{[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]-N-(2-pyridinylmethyl)methanamine 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 | 1434 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 1/27/2023 9:19:23 AM |
InChI | InChI=1S/C26H31FN4O/c1-17(2)23-13-19(14-25-30-31-26(32-25)22-9-4-5-10-24(22)27)18(3)12-20(23)15-28-16-21-8-6-7-11-29-21/h4-12,17,19-20,23,28H,13-16H2,1-3H3/t19-,20-,23-/m0/s1 |
InChI Key | KTFYHSPKPJAARM-JTAQYXEDSA-N |
Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=CC=C3F)C(C)C)CNCC4=CC=CC=N4 |
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Other Names | NAT28-414519 |