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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.02785 174.4
[M+Na]+ 394.00979 179.9
[M-H]- 370.01329 173.7
[M+NH4]+ 389.05439 181.8
[M+K]+ 409.98373 176.7
[M+H-H2O]+ 354.01783 166.7
[M+HCOO]- 416.01877 184.0
[M+CH3COO]- 430.03442 213.2
[M+Na-2H]- 391.99524 179.8
[M]+ 371.02002 178.2
[M]- 371.02112 178.2
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.