1-[(1R,9S)-11-(3,3-Dimethylbutanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(2-methoxyphenyl)urea
11986
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-(2-methoxyphenyl)urea 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-(2-methoxyphenyl)urea
ID: Reference11986
Other Names: NAT11-281544
Formula: C25H32N4O4
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-(2-methoxyphenyl)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 | 1869 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/25/2022 5:01:26 PM |
Identificators
| InChI | InChI=1S/C25H32N4O4/c1-25(2,3)12-22(30)28-13-16-11-17(15-28)20-10-9-19(23(31)29(20)14-16)27-24(32)26-18-7-5-6-8-21(18)33-4/h5-10,16-17H,11-15H2,1-4H3,(H2,26,27,32)/t16-,17+/m0/s1 |
| InChI Key | FPXWRPYVCZQYKS-DLBZAZTESA-N |
| Canonical SMILES | CC(C)(C)CC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=CC=C4OC |
| CAS | |
| Splash | |
| Other Names | NAT11-281544 |