1-[(1R,9S)-11-(3,3-Dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea
13157
Reference
1-[(1R,9S)-11-(3,3-Dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea Structure
Systematic / IUPAC Name: 1-[(1R,9S)-11-(3,3-Dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea
ID: Reference13157
Other Names: NAT11-281541
Formula: C24H30N4O3
Spectral Data
1-[(1R,9S)-11-(3,3-Dimethylbutanoyl)-6-oxo-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 | 1405 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/24/2024 3:51:23 PM |
Identificators
| InChI | InChI=1S/C24H30N4O3/c1-24(2,3)12-21(29)27-13-16-11-17(15-27)20-10-9-19(22(30)28(20)14-16)26-23(31)25-18-7-5-4-6-8-18/h4-10,16-17H,11-15H2,1-3H3,(H2,25,26,31)/t16-,17+/m0/s1 |
| InChI Key | VJGOMKNAEFNUQK-DLBZAZTESA-N |
| Canonical SMILES | CC(C)(C)CC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT11-281541 |