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]+ 273.06923 160.4
[M+Na]+ 295.05117 172.8
[M-H]- 271.05467 167.0
[M+NH4]+ 290.09577 177.9
[M+K]+ 311.02511 167.5
[M+H-H2O]+ 255.05921 153.3
[M+HCOO]- 317.06015 178.6
[M+CH3COO]- 331.07580 173.7
[M+Na-2H]- 293.03662 166.1
[M]+ 272.06140 165.7
[M]- 272.06250 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.