CID 139594706

Nicosulfuron-tp ucsn

Structural Information

Molecular Formula
C10H13N5O5S
SMILES
CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC(=O)N
InChI
InChI=1S/C10H13N5O5S/c1-15(2)8(16)6-4-3-5-12-7(6)21(19,20)14-10(18)13-9(11)17/h3-5H,1-2H3,(H4,11,13,14,17,18)
InChIKey
DGJDFJVBNQLVJW-UHFFFAOYSA-N
Compound name
2-(carbamoylcarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

315.06375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07103 166.7
[M+Na]+ 338.05297 171.2
[M-H]- 314.05647 169.9
[M+NH4]+ 333.09757 178.6
[M+K]+ 354.02691 170.6
[M+H-H2O]+ 298.06101 158.3
[M+HCOO]- 360.06195 185.2
[M+CH3COO]- 374.07760 212.3
[M+Na-2H]- 336.03842 169.2
[M]+ 315.06320 167.7
[M]- 315.06430 167.7
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.