CID 14652

Zolimidine

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2

InChI

InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3

InChIKey

VSLIUWLPFRVCDL-UHFFFAOYSA-N

Compound name

2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 13
References: 535
Patents: 272.06195 Da
Monoisotopic Mass: 2.7
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe