CID 198813

3415-22-3

Structural Information

Molecular Formula
C14H13N3O3S
SMILES
COC1=NN2C=C(N=C2C=C1)C3=CC=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C14H13N3O3S/c1-20-14-8-7-13-15-12(9-17(13)16-14)10-3-5-11(6-4-10)21(2,18)19/h3-9H,1-2H3
InChIKey
UCRRKKODZUTIAF-UHFFFAOYSA-N
Compound name
6-methoxy-2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.06775 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07503 168.5
[M+Na]+ 326.05697 181.3
[M-H]- 302.06047 174.0
[M+NH4]+ 321.10157 183.3
[M+K]+ 342.03091 176.4
[M+H-H2O]+ 286.06501 160.7
[M+HCOO]- 348.06595 185.4
[M+CH3COO]- 362.08160 181.0
[M+Na-2H]- 324.04242 173.5
[M]+ 303.06720 175.9
[M]- 303.06830 175.9
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

No patent data available for this compound.