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]+ 386.04348 178.6
[M+Na]+ 408.02542 183.9
[M-H]- 384.02892 179.1
[M+NH4]+ 403.07002 186.2
[M+K]+ 423.99936 181.9
[M+H-H2O]+ 368.03346 170.4
[M+HCOO]- 430.03440 189.2
[M+CH3COO]- 444.05005 218.7
[M+Na-2H]- 406.01087 184.0
[M]+ 385.03565 185.2
[M]- 385.03675 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.