CID 198836

3458-53-5

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂S

SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CN3C=CC=NC3=N2

InChI

InChI=1S/C13H11N3O2S/c1-19(17,18)12-6-3-2-5-10(12)11-9-16-8-4-7-14-13(16)15-11/h2-9H,1H3

InChIKey

SMLVKGDETBYFDI-UHFFFAOYSA-N

Compound name

2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 273.0572 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.06448	160.6
[M+Na]+	296.04642	173.4
[M-H]-	272.04992	165.9
[M+NH4]+	291.09102	176.5
[M+K]+	312.02036	168.1
[M+H-H2O]+	256.05446	152.9
[M+HCOO]-	318.05540	177.7
[M+CH3COO]-	332.07105	173.5
[M+Na-2H]-	294.03187	166.5
[M]+	273.05665	165.9
[M]-	273.05775	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe