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

26225
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

literature stripe

Patent stripe

patents stripe