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

35515
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

literature stripe

Patent stripe

patents stripe