CID 455577

Imidazopyridazine 18

Structural Information

Molecular Formula

C₂₀H₂₃N₃O

SMILES

CC1=C2C=CC=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O/c1-16-18-12-9-15-21-23(18)20(22-16)14-8-3-2-7-13-19(24)17-10-5-4-6-11-17/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3

InChIKey

UYVZAULSXBXGKE-UHFFFAOYSA-N

Compound name

7-(5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 321.1841 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.19138	179.4
[M+Na]+	344.17332	187.4
[M-H]-	320.17682	182.8
[M+NH4]+	339.21792	192.2
[M+K]+	360.14726	181.1
[M+H-H2O]+	304.18136	168.8
[M+HCOO]-	366.18230	199.0
[M+CH3COO]-	380.19795	189.6
[M+Na-2H]-	342.15877	182.7
[M]+	321.18355	183.7
[M]-	321.18465	183.7

Literature stripe

literature stripe

Patent stripe

patents stripe