1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-3-propylurea
11160
Reference
1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-3-propylurea Structure
Systematic / IUPAC Name: 1-[[(1S,4S,6S)-3-Methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-3-propylurea
ID: Reference11160
Other Names: NAT28-553786
Formula: C24H36N4O
Spectral Data
1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-3-propylurea 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 | 1807 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/28/2022 8:03:34 AM |
Identificators
| InChI | InChI=1S/C24H36N4O/c1-6-10-25-24(29)26-14-19-11-17(5)18(12-20(19)15(2)3)13-22-27-21-9-7-8-16(4)23(21)28-22/h7-9,11,15,18-20H,6,10,12-14H2,1-5H3,(H,27,28)(H2,25,26,29)/t18-,19-,20-/m0/s1 |
| InChI Key | AFJXSLYBUVLNIE-UFYCRDLUSA-N |
| Canonical SMILES | CCCNC(=O)NCC1C=C(C(CC1C(C)C)CC2=NC3=C(C=CC=C3N2)C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-553786 |