1-Allyl-3-[(6aS,8S)-2-bromo-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]urea
12516
Reference
1-Allyl-3-[(6aS,8S)-2-bromo-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]urea Structure
Systematic / IUPAC Name: 1-[(6aS,8S)-2-Bromo-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-prop-2-enylurea
ID: Reference12516
Other Names: NAT7-330169
Formula: C17H19BrN4O3
Spectral Data
1-Allyl-3-[(6aS,8S)-2-bromo-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]urea 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 | 1741 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/15/2023 8:49:25 AM |
Identificators
| InChI | InChI=1S/C17H19BrN4O3/c1-2-6-19-17(25)20-11-5-7-22-14(9-11)15(23)21-13-4-3-10(18)8-12(13)16(22)24/h2-4,8,11,14H,1,5-7,9H2,(H,21,23)(H2,19,20,25)/t11-,14-/m0/s1 |
| InChI Key | WRDMYYQXNDGPIV-FZMZJTMJSA-N |
| Canonical SMILES | C=CCNC(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)Br |
| CAS | |
| Splash | |
| Other Names | NAT7-330169 |