CID 455572

Imidazopyridazine 15j

Structural Information

Molecular Formula
C18H24ClN3O2
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCOC(=O)C3CCCC3)Cl
InChI
InChI=1S/C18H24ClN3O2/c1-13-15-10-11-16(19)21-22(15)17(20-13)9-3-2-6-12-24-18(23)14-7-4-5-8-14/h10-11,14H,2-9,12H2,1H3
InChIKey
YLDQBQUCINBNBG-UHFFFAOYSA-N
Compound name
5-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)pentyl cyclopentanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.1557 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16298 184.9
[M+Na]+ 372.14492 193.0
[M-H]- 348.14842 188.3
[M+NH4]+ 367.18952 199.5
[M+K]+ 388.11886 187.3
[M+H-H2O]+ 332.15296 175.5
[M+HCOO]- 394.15390 198.6
[M+CH3COO]- 408.16955 210.4
[M+Na-2H]- 370.13037 183.0
[M]+ 349.15515 190.2
[M]- 349.15625 190.2
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.