1-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]-3-(4-chlorophenyl)urea
11997
Reference
1-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]-3-(4-chlorophenyl)urea Structure
Systematic / IUPAC Name: 1-[(1R,9S)-11-(1-Acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]-3-(4-chlorophenyl)urea
ID: Reference11997
Other Names: NAT11-326878
Formula: C25H30ClN5O3
Spectral Data
1-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]-3-(4-chlorophenyl)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 | 3176 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/28/2022 4:22:49 PM |
Identificators
| InChI | InChI=1S/C25H30ClN5O3/c1-16(32)29-10-8-21(9-11-29)30-13-17-12-18(15-30)24-22(6-7-23(33)31(24)14-17)28-25(34)27-20-4-2-19(26)3-5-20/h2-7,17-18,21H,8-15H2,1H3,(H2,27,28,34)/t17-,18+/m0/s1 |
| InChI Key | GIOYFNSJNNNOBL-ZWKOTPCHSA-N |
| Canonical SMILES | CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)NC(=O)NC5=CC=C(C=C5)Cl |
| CAS | |
| Splash | |
| Other Names | NAT11-326878 |