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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.086976	167.5
[M+Na]+	337.068918	171.9
[M-H]-	313.072424	171.6
[M+NH4]+	332.113523	179.7
[M+K]+	353.042858	171.3
[M+H-H2O]+	297.076960	158.6
[M+HCOO]-	359.077901	187.6
[M+CH3COO]-	373.093551	217.2
[M+Na-2H]-	335.054366	169.9
[M]+	314.07915142	167.2
[M]-	314.08024858	167.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.