1-[(1R,9S)-11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(3-cyanophenyl)urea
13124
Reference
1-[(1R,9S)-11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(3-cyanophenyl)urea Structure
Systematic / IUPAC Name: 1-[(1R,9S)-11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(3-cyanophenyl)urea
ID: Reference13124
Other Names: NAT11-291974
Formula: C21H21N5O3
Spectral Data
1-[(1R,9S)-11-Acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(3-cyanophenyl)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 | 840 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/29/2024 2:28:46 PM |
Identificators
| InChI | InChI=1S/C21H21N5O3/c1-13(27)25-10-15-7-16(12-25)19-6-5-18(20(28)26(19)11-15)24-21(29)23-17-4-2-3-14(8-17)9-22/h2-6,8,15-16H,7,10-12H2,1H3,(H2,23,24,29)/t15-,16+/m0/s1 |
| InChI Key | RTYYWGHSWYPTKR-JKSUJKDBSA-N |
| Canonical SMILES | CC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=CC(=C4)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-291974 |