1-Ethyl-3-{[(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}urea
12719
Reference
1-Ethyl-3-{[(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}urea Structure
Systematic / IUPAC Name: 1-Ethyl-3-[[(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]urea
ID: Reference12719
Other Names: NAT28-417621
Formula: C21H32N6O2
Spectral Data
1-Ethyl-3-{[(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}urea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1745 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/18/2023 11:40:13 AM |
Identificators
| InChI | InChI=1S/C21H32N6O2/c1-6-23-21(28)24-10-16-7-14(4)15(8-17(16)13(2)3)9-19-25-26-20(29-19)18-11-22-12-27(18)5/h7,11-13,15-17H,6,8-10H2,1-5H3,(H2,23,24,28)/t15-,16-,17-/m0/s1 |
| InChI Key | GQAQTNVNOCAKCX-ULQDDVLXSA-N |
| Canonical SMILES | CCNC(=O)NCC1C=C(C(CC1C(C)C)CC2=NN=C(O2)C3=CN=CN3C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-417621 |