CID 367310

Nsc636878

Structural Information

Molecular Formula

C₁₉H₁₅N₃O₂

SMILES

COC1=C(N=C2N1N=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O2/c1-23-19-18(14-8-4-2-5-9-14)20-16-12-13-17(21-22(16)19)24-15-10-6-3-7-11-15/h2-13H,1H3

InChIKey

IUZQKEQPFSPXKK-UHFFFAOYSA-N

Compound name

3-methoxy-6-phenoxy-2-phenylimidazo[1,2-b]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 317.11642 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]+	318.123696	173.5
[M+Na]+	340.105638	183.9
[M-H]-	316.109144	181.0
[M+NH4]+	335.150243	186.1
[M+K]+	356.079578	177.9
[M+H-H2O]+	300.113680	162.2
[M+HCOO]-	362.114621	195.5
[M+CH3COO]-	376.130271	185.1
[M+Na-2H]-	338.091086	179.9
[M]+	317.11587142	177.7
[M]-	317.11696858	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe