U-49900
7517
Reference
U-49900 Structure
Systematic / IUPAC Name: 3,4-Dichloro-N-[(1R,2R)-2-(diethylamino)cyclohexyl]-N-methylbenzamide
ID: Reference7517
Other Names: trans-3,4-Dichloro-N-[2-(diethylamino)cyclohexyl]-N-methyl-benzamide
Formula: C18H26Cl2N2O
Spectral Data
U-49900 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 | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/12/2018 1:54:38 PM |
Identificators
| InChI | InChI=1S/C18H26Cl2N2O/c1-4-22(5-2)17-9-7-6-8-16(17)21(3)18(23)13-10-11-14(19)15(20)12-13/h10-12,16-17H,4-9H2,1-3H3/t16-,17-/m1/s1 |
| InChI Key | AXACJBKFKCCIOR-IAGOWNOFSA-N |
| Canonical SMILES | CCN(CC)C1CCCCC1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl |
| CAS | 67579764 |
| Splash | |
| Other Names | trans-3,4-Dichloro-N-[2-(diethylamino)cyclohexyl]-N-methyl-benzamide |
In Other Databases
| PubChem | 129392412 |