CID 198917

3504-04-9

Structural Information

Molecular Formula
C14H12N2O2S
SMILES
CS(=O)(=O)C1=CC=CC=C1C2=CN3C=CC=CC3=N2
InChI
InChI=1S/C14H12N2O2S/c1-19(17,18)13-7-3-2-6-11(13)12-10-16-9-5-4-8-14(16)15-12/h2-10H,1H3
InChIKey
BKCJPNZOKXBWEM-UHFFFAOYSA-N
Compound name
2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.06195 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.069226 160.4
[M+Na]+ 295.051168 172.8
[M-H]- 271.054674 167.0
[M+NH4]+ 290.095773 177.9
[M+K]+ 311.025108 167.5
[M+H-H2O]+ 255.059210 153.3
[M+HCOO]- 317.060151 178.6
[M+CH3COO]- 331.075801 173.7
[M+Na-2H]- 293.036616 166.1
[M]+ 272.06140142 165.7
[M]- 272.06249858 165.7
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

No patent data available for this compound.