Systematic / IUPAC Name: (9S,11S)-N-(Furan-2-ylmethyl)-3-[(1-methylimidazol-2-yl)methyl]-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide
ID: Reference11678
Other Names: NAT33-501201
Formula: C26H31N5O2
(4S,6S)-N-(2-Furylmethyl)-6-isobutyl-1-[(1-methyl-1H-imidazol-2-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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 3022 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 8/22/2022 8:31:14 AM |
InChI | InChI=1S/C26H31N5O2/c1-17(2)12-21-20-7-4-8-23-25(20)18(15-31(23)16-24-27-9-10-30(24)3)13-22(29-21)26(32)28-14-19-6-5-11-33-19/h4-11,15,17,21-22,29H,12-14,16H2,1-3H3,(H,28,32)/t21-,22-/m0/s1 |
InChI Key | JCPMTRDJHCGCDN-VXKWHMMOSA-N |
Canonical SMILES | CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC4=NC=CN4C)CC(N1)C(=O)NCC5=CC=CO5 |
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Other Names | NAT33-501201 |