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
3
Annotation Hits

0
References

0
Patents

371.02057 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.02785 176.7
[M+Na]+ 394.00979 180.1
[M+NH4]+ 389.05439 176.8
[M+K]+ 409.98373 179.1
[M-H]- 370.01329 171.8
[M+Na-2H]- 391.99524 176.5
[M]+ 371.02002 175.7
[M]- 371.02112 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.