URB447
5459
Reference
URB447 Structure
Systematic / IUPAC Name: [4-Amino-1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl](phenyl)methanone
ID: Reference5459
Other Names: Methanone, {4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-1H-pyrrol-3-yl}phenyl-
Formula: C25H21ClN2O
Class: Drugs of Abuse/Illegal Drugs
Spectral Data
URB447 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 | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 8/8/2016 10:04:43 AM |
Identificators
| InChI | InChI=1S/C25H21ClN2O/c1-17-22(25(29)20-10-6-3-7-11-20)23(27)24(19-8-4-2-5-9-19)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16,27H2,1H3 |
| InChI Key | KGXYGMKEFDUWNB-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C(=C(N1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)N)C(=O)C4=CC=CC=C4 |
| CAS | 1132922576 |
| Splash | |
| Other Names | Methanone, {4-amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-1H-pyrrol-3-yl}phenyl- |