CID 455571

Imidazopyridazine 15i

Structural Information

Molecular Formula
C14H18ClN3O2
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCOC(=O)C)Cl
InChI
InChI=1S/C14H18ClN3O2/c1-10-12-7-8-13(15)17-18(12)14(16-10)6-4-3-5-9-20-11(2)19/h7-8H,3-6,9H2,1-2H3
InChIKey
HBAVIEHBYNXPDS-UHFFFAOYSA-N
Compound name
5-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)pentyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.10876 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11604 167.1
[M+Na]+ 318.09798 178.1
[M-H]- 294.10148 167.9
[M+NH4]+ 313.14258 182.8
[M+K]+ 334.07192 172.9
[M+H-H2O]+ 278.10602 158.9
[M+HCOO]- 340.10696 182.9
[M+CH3COO]- 354.12261 202.1
[M+Na-2H]- 316.08343 170.2
[M]+ 295.10821 175.6
[M]- 295.10931 175.6
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.