N-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenecarboxamide
11187
Reference
N-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenecarboxamide Structure
Systematic / IUPAC Name: N-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]thiophene-2-carboxamide
ID: Reference11187
Other Names: NAT11-275487
Formula: C25H27N3O2S
Spectral Data
N-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-thiophenecarboxamide 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 | 1056 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/4/2022 10:09:39 AM |
Identificators
| InChI | InChI=1S/C25H27N3O2S/c29-24(23-9-5-13-31-23)26-21-10-11-22-20-14-19(16-28(22)25(21)30)15-27(17-20)12-4-8-18-6-2-1-3-7-18/h1-3,5-7,9-11,13,19-20H,4,8,12,14-17H2,(H,26,29)/t19-,20+/m0/s1 |
| InChI Key | FNFMLAKIWLQIJL-VQTJNVASSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=CS4)CCCC5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-275487 |