CID 86426

Sulfosulfuron

Structural Information

Molecular Formula
C16H18N6O7S2
SMILES
CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC
InChI
InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)
InChIKey
RBSXHDIPCIWOMG-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

36
References

26817
Patents

470.06784 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.07512 205.7
[M+Na]+ 493.05706 214.6
[M-H]- 469.06056 209.3
[M+NH4]+ 488.10166 211.2
[M+K]+ 509.03100 210.1
[M+H-H2O]+ 453.06510 198.2
[M+HCOO]- 515.06604 215.7
[M+CH3COO]- 529.08169 230.7
[M+Na-2H]- 491.04251 212.4
[M]+ 470.06729 215.4
[M]- 470.06839 215.4
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.