CID 455569

Imidazopyridazine 15g

Structural Information

Molecular Formula
C21H24ClN3O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCCC(=O)C3=CC=CC=C3)Cl
InChI
InChI=1S/C21H24ClN3O/c1-16-18-14-15-20(22)24-25(18)21(23-16)13-9-4-2-3-8-12-19(26)17-10-6-5-7-11-17/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3
InChIKey
LUZTZWZALDFPQR-UHFFFAOYSA-N
Compound name
8-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyloctan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1608 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16808 190.7
[M+Na]+ 392.15002 199.7
[M-H]- 368.15352 193.8
[M+NH4]+ 387.19462 202.6
[M+K]+ 408.12396 191.7
[M+H-H2O]+ 352.15806 180.1
[M+HCOO]- 414.15900 205.0
[M+CH3COO]- 428.17465 217.0
[M+Na-2H]- 390.13547 192.0
[M]+ 369.16025 197.7
[M]- 369.16135 197.7
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.