This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C13H15N3O2


Canonical SMILES:
CCC(=O)Nc1ccc2c(c1)n(nc2)C(=O)CC
InChI:
InChI=1S/C13H15N3O2/c1-3-12(17)15-10-6-5-9-8-14-16(11(9)7-10)13(18)4-2/h5-8H,3-4H2,1-2H3,(H,15,17)
InChIKey:
XYXZVYXWLDBRLV-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

mass spectrometry (MS) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
MS (EI, 70 eV, 80 °C), m/z (%): 245 (48) [M]+, 189 (43) [M- propionyl]+, 133 (100) [6-Amino-indazol]+. HRMS–EI (C13H15N3O2) (m/z): [M]+ calcd 245.1159; found 245.1159.
Datasets