PharmaGSID 47259

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Systematic / IUPAC Name: 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

ID: Reference3078

Other Names: CI-1002

Formula: C13H14Cl2N2

Spectral Data

PharmaGSID 47259 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/5/2015 2:37:13 PM
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Identificators

InChI InChI=1S/C13H14Cl2N2/c14-9-6-11(15)10-8-17-5-3-1-2-4-13(17)16-12(10)7-9/h6-7H,1-5,8H2
InChI Key WTPSHLVHJOJDIF-UHFFFAOYSA-N
Canonical SMILES C1CCC2=NC3=CC(=CC(=C3CN2CC1)Cl)Cl
CAS
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Other Names CI-1002

In Other Databases

ChEMBL CHEMBL3301813
PubChem 9838284
ChemSpider 8014004