CID 455567

Imidazopyridazine 15e

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCC(=O)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C20H22ClN3O/c1-15-18-12-13-19(21)23-24(18)20(22-15)11-7-3-6-10-17(25)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13H,3,6-7,10-11,14H2,1H3
InChIKey
YHOPWILJLKVXHS-UHFFFAOYSA-N
Compound name
7-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.14514 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15242 186.1
[M+Na]+ 378.13436 195.7
[M-H]- 354.13786 189.5
[M+NH4]+ 373.17896 198.6
[M+K]+ 394.10830 187.9
[M+H-H2O]+ 338.14240 175.8
[M+HCOO]- 400.14334 200.9
[M+CH3COO]- 414.15899 196.0
[M+Na-2H]- 376.11981 188.0
[M]+ 355.14459 192.8
[M]- 355.14569 192.8
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.