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

1
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

patents stripe