CID 455563

Imidazopyridazine 15a

Structural Information

Molecular Formula
C19H20ClN3O2
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCOC(=O)C3=CC=CC=C3)Cl
InChI
InChI=1S/C19H20ClN3O2/c1-14-16-11-12-17(20)22-23(16)18(21-14)10-6-3-7-13-25-19(24)15-8-4-2-5-9-15/h2,4-5,8-9,11-12H,3,6-7,10,13H2,1H3
InChIKey
VAQJZQNQAXFGQV-UHFFFAOYSA-N
Compound name
5-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)pentyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.1244 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13168 184.5
[M+Na]+ 380.11362 194.4
[M-H]- 356.11712 188.1
[M+NH4]+ 375.15822 196.9
[M+K]+ 396.08756 187.5
[M+H-H2O]+ 340.12166 174.3
[M+HCOO]- 402.12260 199.8
[M+CH3COO]- 416.13825 212.6
[M+Na-2H]- 378.09907 187.1
[M]+ 357.12385 192.2
[M]- 357.12495 192.2
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.