CID 73281

Nicosulfuron

Structural Information

Molecular Formula
C15H18N6O6S
SMILES
CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)
InChIKey
RTCOGUMHFFWOJV-UHFFFAOYSA-N
Compound name
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

146
References

38132
Patents

410.10086 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10814 190.5
[M+Na]+ 433.09008 196.4
[M-H]- 409.09358 195.3
[M+NH4]+ 428.13468 196.7
[M+K]+ 449.06402 194.9
[M+H-H2O]+ 393.09812 180.3
[M+HCOO]- 455.09906 207.1
[M+CH3COO]- 469.11471 229.1
[M+Na-2H]- 431.07553 194.9
[M]+ 410.10031 197.1
[M]- 410.10141 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.