N-[4-({(1R,9R)-6-Oxo-3-[(1E)-1-propen-1-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}sulfonyl)phenyl]acetamide
11017
Reference
N-[4-({(1R,9R)-6-Oxo-3-[(1E)-1-propen-1-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}sulfonyl)phenyl]acetamide Structure
Systematic / IUPAC Name: N-[4-[[(1R,9R)-6-Oxo-3-[(E)-prop-1-enyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]phenyl]acetamide
ID: Reference11017
Other Names: NAT11-289084
Formula: C22H25N3O4S
Spectral Data
N-[4-({(1R,9R)-6-Oxo-3-[(1E)-1-propen-1-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}sulfonyl)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 | 1635 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 10:10:43 AM |
Identificators
| InChI | InChI=1S/C22H25N3O4S/c1-3-4-17-5-10-21(27)25-13-16-11-18(22(17)25)14-24(12-16)30(28,29)20-8-6-19(7-9-20)23-15(2)26/h3-10,16,18H,11-14H2,1-2H3,(H,23,26)/b4-3+/t16-,18+/m0/s1 |
| InChI Key | QXKIUFQFTLFBKF-NDIJEHHESA-N |
| Canonical SMILES | CC=CC1=C2C3CC(CN(C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)CN2C(=O)C=C1 |
| CAS | |
| Splash | |
| Other Names | NAT11-289084 |