1-[(6aS,8S)-6,12-Dioxo-2-(3-thienyl)-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-isopropylurea
12518
Reference
1-[(6aS,8S)-6,12-Dioxo-2-(3-thienyl)-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-isopropylurea Structure
Systematic / IUPAC Name: 1-[(6aS,8S)-6,12-Dioxo-2-thiophen-3-yl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-propan-2-ylurea
ID: Reference12518
Other Names: NAT7-330155
Formula: C21H24N4O3S
Spectral Data
1-[(6aS,8S)-6,12-Dioxo-2-(3-thienyl)-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-isopropylurea 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 | 1925 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/15/2023 10:07:58 AM |
Identificators
| InChI | InChI=1S/C21H24N4O3S/c1-12(2)22-21(28)23-15-5-7-25-18(10-15)19(26)24-17-4-3-13(9-16(17)20(25)27)14-6-8-29-11-14/h3-4,6,8-9,11-12,15,18H,5,7,10H2,1-2H3,(H,24,26)(H2,22,23,28)/t15-,18-/m0/s1 |
| InChI Key | RKIBUVMUZHGWBY-YJBOKZPZSA-N |
| Canonical SMILES | CC(C)NC(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CSC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT7-330155 |