1-Ethyl-3-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}urea
12718
Reference
1-Ethyl-3-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{[5-(4-pyridinyl)-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-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]urea
ID: Reference12718
Other Names: NAT28-416641
Formula: C22H31N5O2
Spectral Data
1-Ethyl-3-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{[5-(4-pyridinyl)-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 | 1990 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/18/2023 11:38:43 AM |
Identificators
| InChI | InChI=1S/C22H31N5O2/c1-5-24-22(28)25-13-18-10-15(4)17(11-19(18)14(2)3)12-20-26-27-21(29-20)16-6-8-23-9-7-16/h6-10,14,17-19H,5,11-13H2,1-4H3,(H2,24,25,28)/t17-,18-,19-/m0/s1 |
| InChI Key | TYHRGLORVVDQJY-FHWLQOOXSA-N |
| Canonical SMILES | CCNC(=O)NCC1C=C(C(CC1C(C)C)CC2=NN=C(O2)C3=CC=NC=C3)C |
| CAS | |
| Splash | |
| Other Names | NAT28-416641 |