CID 139594334

Sulfonylbiuret

Structural Information

Molecular Formula

C₁₁H₁₃N₅O₆S₂

SMILES

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

InChI

InChI=1S/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)

InChIKey

BHWWJVNMPYFYSB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 375.03073 Da
Monoisotopic Mass: 0.9
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]+	376.038006	181.0
[M+Na]+	398.019948	188.7
[M-H]-	374.023454	182.6
[M+NH4]+	393.064553	192.1
[M+K]+	413.993888	184.6
[M+H-H2O]+	358.027990	174.6
[M+HCOO]-	420.028931	192.7
[M+CH3COO]-	434.044581	213.9
[M+Na-2H]-	396.005396	187.0
[M]+	375.03018142	185.6
[M]-	375.03127858	185.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.