3-(4-Methoxybenzyl)-2-thioxoimidazolidin-4-one
4213
Reference
3-(4-Methoxybenzyl)-2-thioxoimidazolidin-4-one Structure
Systematic / IUPAC Name: 3-(4-Methoxybenzyl)-2-thioxo-4-imidazolidinone
ID: Reference4213
Other Names: 4-Imidazolidinone, 3-[(4-methoxyphenyl)methyl]-2-thioxo-
Formula: C11H12N2O2S
Spectral Data
3-(4-Methoxybenzyl)-2-thioxoimidazolidin-4-one 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 Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/16/2016 8:10:16 AM |
Identificators
| InChI | InChI=1S/C11H12N2O2S/c1-15-9-4-2-8(3-5-9)7-13-10(14)6-12-11(13)16/h2-5H,6-7H2,1H3,(H,12,16) |
| InChI Key | QCRLFEMRQGIQRK-UHFFFAOYSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)CN2C(=O)CNC2=S |
| CAS | |
| Splash | |
| Other Names | 4-Imidazolidinone, 3-[(4-methoxyphenyl)methyl]-2-thioxo- |
In Other Databases
| ChemSpider | 2008738 |
| PubChem | 2726679 |
| ChEMBL | CHEMBL1711018 |