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
3
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 166.0
[M+Na]+ 338.05297 170.2
[M+NH4]+ 333.09757 168.4
[M+K]+ 354.02691 168.9
[M-H]- 314.05647 164.5
[M+Na-2H]- 336.03842 168.1
[M]+ 315.06320 165.7
[M]- 315.06430 165.7
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.