N-{4-[(1R,9S)-6-Oxo-11-(2-thienylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}acetamide
11015
Reference
N-{4-[(1R,9S)-6-Oxo-11-(2-thienylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}acetamide Structure
Systematic / IUPAC Name: N-[4-[(1R,9S)-6-Oxo-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide
ID: Reference11015
Other Names: NAT11-290272
Formula: C24H25N3O2S
Spectral Data
N-{4-[(1R,9S)-6-Oxo-11-(2-thienylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}acetamide 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 | 2012 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 9:57:40 AM |
Identificators
| InChI | InChI=1S/C24H25N3O2S/c1-16(28)25-20-6-4-18(5-7-20)22-8-9-23(29)27-13-17-11-19(24(22)27)14-26(12-17)15-21-3-2-10-30-21/h2-10,17,19H,11-15H2,1H3,(H,25,28)/t17-,19+/m0/s1 |
| InChI Key | OUEZAUXVZWGTAJ-PKOBYXMFSA-N |
| Canonical SMILES | CC(=O)NC1=CC=C(C=C1)C2=C3C4CC(CN(C4)CC5=CC=CS5)CN3C(=O)C=C2 |
| CAS | |
| Splash | |
| Other Names | NAT11-290272 |