CID 132990948

Nicosulfuron-tp ausn

Structural Information

Molecular Formula
C10H14N6O4S
SMILES
CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)N=C(N)N
InChI
InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)
InChIKey
JIZXOFJDALMBAQ-UHFFFAOYSA-N
Compound name
2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

314.0797 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08698 167.5
[M+Na]+ 337.06892 171.9
[M-H]- 313.07242 171.6
[M+NH4]+ 332.11352 179.7
[M+K]+ 353.04286 171.3
[M+H-H2O]+ 297.07696 158.6
[M+HCOO]- 359.07790 187.6
[M+CH3COO]- 373.09355 217.2
[M+Na-2H]- 335.05437 169.9
[M]+ 314.07915 167.2
[M]- 314.08025 167.2
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.