CID 139597002

Amidosulfuron tp2

Structural Information

Molecular Formula

C₈H₁₃N₅O₈S₂

SMILES

CN(S(=O)(=O)C)S(=O)(=O)NC(=O)NC1=NC(=C(C(=O)N1)O)OC

InChI

InChI=1S/C8H13N5O8S2/c1-13(22(3,17)18)23(19,20)12-8(16)11-7-9-5(15)4(14)6(10-7)21-2/h14H,1-3H3,(H3,9,10,11,12,15,16)

InChIKey

RYGWBLOTASPUCK-UHFFFAOYSA-N

Compound name

1-(5-hydroxy-4-methoxy-6-oxo-1H-pyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 371.02057 Da
Monoisotopic Mass: -1.7
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]+	372.027846	174.4
[M+Na]+	394.009788	179.9
[M-H]-	370.013294	173.7
[M+NH4]+	389.054393	181.8
[M+K]+	409.983728	176.7
[M+H-H2O]+	354.017830	166.7
[M+HCOO]-	416.018771	184.0
[M+CH3COO]-	430.034421	213.2
[M+Na-2H]-	391.995236	179.8
[M]+	371.02002142	178.2
[M]-	371.02111858	178.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.