Systematic / IUPAC Name: N-[[(1S,4S,6S)-3-Methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
ID: Reference10647
Other Names: NAT28-417605
Formula: C22H31N5O2
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(1-methyl-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}cyclopropanecarboxamide 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 | 2 |
No. of Spectra | 3106 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 7/9/2021 9:05:16 AM |
InChI | InChI=1S/C22H31N5O2/c1-13(2)18-8-16(14(3)7-17(18)10-24-21(28)15-5-6-15)9-20-25-26-22(29-20)19-11-23-12-27(19)4/h7,11-13,15-18H,5-6,8-10H2,1-4H3,(H,24,28)/t16-,17-,18-/m0/s1 |
InChI Key | BCUHBXVRZKQSQX-BZSNNMDCSA-N |
Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CNC(=O)C4CC4 |
CAS | |
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Other Names | NAT28-417605 |