Rutaecarpine

enlarge

Systematic / IUPAC Name: 3,13,21-Triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one

ID: Reference13773

Other Names: AA-3864

Formula: C18H13N3O

Class: Endogenous Metabolites

Spectral Data

Rutaecarpine 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 1204
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/19/2026 11:52:48 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
InChI Key ACVGWSKVRYFWRP-UHFFFAOYSA-N
Canonical SMILES O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12
CAS
Splash
Other Names AA-3864

In Other Databases

Wikipedia Rutecarpine
HMDb HMDB0042010
KEGG C09238
ChEBI CHEBI:8922
PubChem 65752
ChEMBL CHEMBL85139
ChemSpider 59175