1-({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-2-cyclohexen-1-yl}methyl)-3-propylurea
11918
Reference
1-({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-2-cyclohexen-1-yl}methyl)-3-propylurea Structure
Systematic / IUPAC Name: 1-[[(1S,4S,6S)-4-[(6-Methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-3-propylurea
ID: Reference11918
Other Names: NAT28-553740
Formula: C24H36N4O2
Spectral Data
1-({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-1H-benzimidazol-2-yl)methyl]-3-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 | 2052 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/4/2022 8:59:19 AM |
Identificators
| InChI | InChI=1S/C24H36N4O2/c1-6-9-25-24(29)26-14-18-10-16(4)17(11-20(18)15(2)3)12-23-27-21-8-7-19(30-5)13-22(21)28-23/h7-8,10,13,15,17-18,20H,6,9,11-12,14H2,1-5H3,(H,27,28)(H2,25,26,29)/t17-,18-,20-/m0/s1 |
| InChI Key | CFXRZRDMAVOZLH-BJLQDIEVSA-N |
| Canonical SMILES | CCCNC(=O)NCC1C=C(C(CC1C(C)C)CC2=NC3=C(N2)C=C(C=C3)OC)C |
| CAS | |
| Splash | |
| Other Names | NAT28-553740 |