1-[(1R,9S)-6-Oxo-11-(2-thienylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea
13210
Reference
1-[(1R,9S)-6-Oxo-11-(2-thienylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea Structure
Systematic / IUPAC Name: 1-[(1R,9S)-6-Oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea
ID: Reference13210
Other Names: NAT11-292067
Formula: C23H22N4O3S
Spectral Data
1-[(1R,9S)-6-Oxo-11-(2-thienylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea 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 | 2 |
| No. of Spectra | 2610 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/4/2024 11:45:51 AM |
Identificators
| InChI | InChI=1S/C23H22N4O3S/c28-21-18(25-23(30)24-17-5-2-1-3-6-17)8-9-19-16-11-15(13-27(19)21)12-26(14-16)22(29)20-7-4-10-31-20/h1-10,15-16H,11-14H2,(H2,24,25,30)/t15-,16+/m0/s1 |
| InChI Key | QWRWZYAPQVSQKJ-JKSUJKDBSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=CC=C4)C(=O)C5=CC=CS5 |
| CAS | |
| Splash | |
| Other Names | NAT11-292067 |