N-[(6aS,8S)-2-(2-Furyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-thiophenecarboxamide
12060
Reference
N-[(6aS,8S)-2-(2-Furyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-2-thiophenecarboxamide Structure
Systematic / IUPAC Name: N-[(6aS,8S)-2-(Furan-2-yl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]thiophene-2-carboxamide
ID: Reference12060
Other Names: NAT7-259902
Formula: C22H19N3O4S
Spectral Data
N-[(6aS,8S)-2-(2-Furyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-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 | 2260 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/16/2022 8:42:22 AM |
Identificators
| InChI | InChI=1S/C22H19N3O4S/c26-20-17-12-14(23-21(27)19-4-2-10-30-19)7-8-25(17)22(28)15-11-13(5-6-16(15)24-20)18-3-1-9-29-18/h1-6,9-11,14,17H,7-8,12H2,(H,23,27)(H,24,26)/t14-,17-/m0/s1 |
| InChI Key | YZOAUQHEVFDHFO-YOEHRIQHSA-N |
| Canonical SMILES | C1CN2C(CC1NC(=O)C3=CC=CS3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CO5 |
| CAS | |
| Splash | |
| Other Names | NAT7-259902 |