CID 201233

3415-20-1

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C(=N2)C=CC=N3
InChI
InChI=1S/C13H11N3O2S/c1-19(17,18)11-6-4-10(5-7-11)12-9-16-13(15-12)3-2-8-14-16/h2-9H,1H3
InChIKey
RASHKQRMXCVFCV-UHFFFAOYSA-N
Compound name
2-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0572 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.064476 160.6
[M+Na]+ 296.046418 173.4
[M-H]- 272.049924 165.9
[M+NH4]+ 291.091023 176.5
[M+K]+ 312.020358 168.1
[M+H-H2O]+ 256.054460 152.9
[M+HCOO]- 318.055401 177.7
[M+CH3COO]- 332.071051 173.5
[M+Na-2H]- 294.031866 166.5
[M]+ 273.05665142 165.9
[M]- 273.05774858 165.9
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.