(4S,6S)-6-Isobutyl-N-[(5-methyl-2-furyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide
10542
Reference
(4S,6S)-6-Isobutyl-N-[(5-methyl-2-furyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide Structure
Systematic / IUPAC Name: (9S,11S)-N-[(5-Methylfuran-2-yl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide
ID: Reference10542
Other Names: NAT33-501568
Formula: C27H32N4O3
Spectral Data
(4S,6S)-6-Isobutyl-N-[(5-methyl-2-furyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide 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 | 3278 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/29/2023 10:58:44 AM |
Identificators
| InChI | InChI=1S/C27H32N4O3/c1-16(2)10-23-22-6-5-7-25-26(22)19(14-31(25)15-20-11-18(4)34-30-20)12-24(29-23)27(32)28-13-21-9-8-17(3)33-21/h5-9,11,14,16,23-24,29H,10,12-13,15H2,1-4H3,(H,28,32)/t23-,24-/m0/s1 |
| InChI Key | PVGSMWCYUVDIEU-ZEQRLZLVSA-N |
| Canonical SMILES | CC1=CC=C(O1)CNC(=O)C2CC3=CN(C4=CC=CC(=C34)C(N2)CC(C)C)CC5=NOC(=C5)C |
| CAS | |
| Splash | |
| Other Names | NAT33-501568 |