CID 455568

Imidazopyridazine 15f

Structural Information

Molecular Formula
C19H20ClN3O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCC(=O)C3=CC=CC=C3)Cl
InChI
InChI=1S/C19H20ClN3O/c1-14-16-12-13-18(20)22-23(16)19(21-14)11-7-3-6-10-17(24)15-8-4-2-5-9-15/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3
InChIKey
DSOSMCKHPXFBDM-UHFFFAOYSA-N
Compound name
6-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1295 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13678 181.5
[M+Na]+ 364.11872 191.6
[M-H]- 340.12222 185.1
[M+NH4]+ 359.16332 194.7
[M+K]+ 380.09266 184.0
[M+H-H2O]+ 324.12676 171.4
[M+HCOO]- 386.12770 196.7
[M+CH3COO]- 400.14335 191.9
[M+Na-2H]- 362.10417 184.0
[M]+ 341.12895 187.9
[M]- 341.13005 187.9
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.