CID 91103679

Dtxsid701028266

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₅S₂

SMILES

CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)N

InChI

InChI=1S/C10H12N4O5S2/c1-2-20(16,17)8-9(21(18,19)13-10(11)15)14-6-4-3-5-7(14)12-8/h3-6H,2H2,1H3,(H3,11,13,15)

InChIKey

XOHMJAPFRWCQMP-UHFFFAOYSA-N

Compound name

(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 4
Patents: 332.0249 Da
Monoisotopic Mass: 0.2
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]+	333.03218	172.4
[M+Na]+	355.01412	182.1
[M-H]-	331.01762	174.4
[M+NH4]+	350.05872	186.0
[M+K]+	370.98806	177.5
[M+H-H2O]+	315.02216	166.5
[M+HCOO]-	377.02310	184.2
[M+CH3COO]-	391.03875	204.5
[M+Na-2H]-	352.99957	177.9
[M]+	332.02435	177.6
[M]-	332.02545	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe