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-methylphenyl)urea
11868
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-methylphenyl)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-methylphenyl)urea
ID: Reference11868
Other Names: NAT11-326881
Formula: C26H33N5O3
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-methylphenyl)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 | 3304 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/17/2022 10:40:00 AM |
Identificators
| InChI | InChI=1S/C26H33N5O3/c1-17-3-5-21(6-4-17)27-26(34)28-23-7-8-24(33)31-15-19-13-20(25(23)31)16-30(14-19)22-9-11-29(12-10-22)18(2)32/h3-8,19-20,22H,9-16H2,1-2H3,(H2,27,28,34)/t19-,20+/m0/s1 |
| InChI Key | GCJXHBWMJVPCSP-VQTJNVASSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)NC(=O)NC2=C3C4CC(CN(C4)C5CCN(CC5)C(=O)C)CN3C(=O)C=C2 |
| CAS | |
| Splash | |
| Other Names | NAT11-326881 |