1-(4-Chlorophenyl)-3-[(1R,9S)-6-oxo-11-(2-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
11024
Reference
1-(4-Chlorophenyl)-3-[(1R,9S)-6-oxo-11-(2-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea Structure
Systematic / IUPAC Name: 1-(4-Chlorophenyl)-3-[(1R,9S)-6-oxo-11-pyrimidin-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
ID: Reference11024
Other Names: NAT11-275557
Formula: C22H21ClN6O2
Spectral Data
1-(4-Chlorophenyl)-3-[(1R,9S)-6-oxo-11-(2-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea 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 | 1409 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 11:42:39 AM |
Identificators
| InChI | InChI=1S/C22H21ClN6O2/c23-16-2-4-17(5-3-16)26-22(31)27-18-6-7-19-15-10-14(12-29(19)20(18)30)11-28(13-15)21-24-8-1-9-25-21/h1-9,14-15H,10-13H2,(H2,26,27,31)/t14-,15+/m0/s1 |
| InChI Key | MVWZVQKPTSCHOX-LSDHHAIUSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=C(C=C4)Cl)C5=NC=CC=N5 |
| CAS | |
| Splash | |
| Other Names | NAT11-275557 |