CID 13670609

2-(2-methoxy-4-methylsulphonyloxy-phenyl)imidazo(1,2-b)pyridazine

Structural Information

Molecular Formula
C14H13N3O4S
SMILES
COC1=C(C=CC(=C1)OS(=O)(=O)C)C2=CN3C(=N2)C=CC=N3
InChI
InChI=1S/C14H13N3O4S/c1-20-13-8-10(21-22(2,18)19)5-6-11(13)12-9-17-14(16-12)4-3-7-15-17/h3-9H,1-2H3
InChIKey
NFJJQOJFHSERQK-UHFFFAOYSA-N
Compound name
(4-imidazo[1,2-b]pyridazin-2-yl-3-methoxyphenyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

319.06268 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06996 171.4
[M+Na]+ 342.05190 183.9
[M-H]- 318.05540 176.9
[M+NH4]+ 337.09650 185.5
[M+K]+ 358.02584 179.7
[M+H-H2O]+ 302.05994 163.5
[M+HCOO]- 364.06088 188.5
[M+CH3COO]- 378.07653 201.8
[M+Na-2H]- 340.03735 176.7
[M]+ 319.06213 180.2
[M]- 319.06323 180.2
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