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-phenylurea
11975
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-phenylurea 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-phenylurea
ID: Reference11975
Other Names: NAT11-326876
Formula: C25H31N5O3
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-phenylurea 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 | 3280 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/21/2022 2:55:41 PM |
Identificators
| InChI | InChI=1S/C25H31N5O3/c1-17(31)28-11-9-21(10-12-28)29-14-18-13-19(16-29)24-22(7-8-23(32)30(24)15-18)27-25(33)26-20-5-3-2-4-6-20/h2-8,18-19,21H,9-16H2,1H3,(H2,26,27,33)/t18-,19+/m0/s1 |
| InChI Key | PITFRHAPBTTXSE-RBUKOAKNSA-N |
| Canonical SMILES | CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)NC(=O)NC5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-326876 |