1-[(1R,9S)-6-Oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea

enlarge

Systematic / IUPAC Name: 1-[(1R,9S)-6-Oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea

ID: Reference12936

Other Names: NAT11-281553

Formula: C26H26N4O4

Spectral Data

1-[(1R,9S)-6-Oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1370
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/14/2023 12:46:27 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H26N4O4/c31-24(17-34-21-9-5-2-6-10-21)29-14-18-13-19(16-29)23-12-11-22(25(32)30(23)15-18)28-26(33)27-20-7-3-1-4-8-20/h1-12,18-19H,13-17H2,(H2,27,28,33)/t18-,19+/m0/s1
InChI Key CPLLODHAUNVDDW-RBUKOAKNSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=CC=C4)C(=O)COC5=CC=CC=C5
CAS
Splash
Other Names NAT11-281553

In Other Databases

PubChem 11884550
ChemSpider 10058878