CID 455574

Imidazopyridazine 17a

Structural Information

Molecular Formula
C19H20ClN3O
SMILES
C1=CC=C(C=C1)C(=O)CCCCCCC2=NC=C3N2N=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN3O/c20-18-13-12-16-14-21-19(23(16)22-18)11-7-2-1-6-10-17(24)15-8-4-3-5-9-15/h3-5,8-9,12-14H,1-2,6-7,10-11H2
InChIKey
FGXZTMAMZBMESH-UHFFFAOYSA-N
Compound name
7-(2-chloroimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1295 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13678 181.1
[M+Na]+ 364.11872 190.2
[M-H]- 340.12222 184.2
[M+NH4]+ 359.16332 193.9
[M+K]+ 380.09266 182.6
[M+H-H2O]+ 324.12676 170.7
[M+HCOO]- 386.12770 196.2
[M+CH3COO]- 400.14335 191.2
[M+Na-2H]- 362.10417 184.3
[M]+ 341.12895 187.1
[M]- 341.13005 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.