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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 173.5
[M+Na]+ 340.10564 183.9
[M-H]- 316.10914 181.0
[M+NH4]+ 335.15024 186.1
[M+K]+ 356.07958 177.9
[M+H-H2O]+ 300.11368 162.2
[M+HCOO]- 362.11462 195.5
[M+CH3COO]- 376.13027 185.1
[M+Na-2H]- 338.09109 179.9
[M]+ 317.11587 177.7
[M]- 317.11697 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe