CID 139595672

Amidosulfuron tp3

Structural Information

Molecular Formula
C9H15N5O8S2
SMILES
CN(S(=O)(=O)C)S(=O)(=O)NC(=O)NC1=NC(=C(C(=N1)OC)O)OC
InChI
InChI=1S/C9H15N5O8S2/c1-14(23(4,17)18)24(19,20)13-9(16)12-8-10-6(21-2)5(15)7(11-8)22-3/h15H,1-4H3,(H2,10,11,12,13,16)
InChIKey
JWXHOFCJFXZJMN-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

385.0362 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.043476 178.6
[M+Na]+ 408.025418 183.9
[M-H]- 384.028924 179.1
[M+NH4]+ 403.070023 186.2
[M+K]+ 423.999358 181.9
[M+H-H2O]+ 368.033460 170.4
[M+HCOO]- 430.034401 189.2
[M+CH3COO]- 444.050051 218.7
[M+Na-2H]- 406.010866 184.0
[M]+ 385.03565142 185.2
[M]- 385.03674858 185.2
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.