MJN110
4426
Reference
MJN110 Structure
Systematic / IUPAC Name: 1-[({4-[Bis(4-chlorophenyl)methyl]-1-piperazinyl}carbonyl)oxy]-2,5-pyrrolidinedione
ID: Reference4426
Other Names: 2,5-Pyrrolidinedione, 1-[({4-[bis(4-chlorophenyl)methyl]-1-piperazinyl}carbonyl)oxy]-
Formula: C22H21Cl2N3O4
Class: Endogenous Metabolites
Spectral Data
MJN110 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 Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 967 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 4/6/2016 6:56:01 AM |
Identificators
| InChI | InChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2 |
| InChI Key | BEADRWVIFHOSGN-UHFFFAOYSA-N |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
| CAS | 1438416217 |
| Splash | |
| Other Names | 2,5-Pyrrolidinedione, 1-[({4-[bis(4-chlorophenyl)methyl]-1-piperazinyl}carbonyl)oxy]- |