CID 91777

Amidosulfuron

Structural Information

Molecular Formula
C9H15N5O7S2
SMILES
CN(S(=O)(=O)C)S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC
InChI
InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)
InChIKey
CTTHWASMBLQOFR-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

26492
Patents

369.0413 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.04858 176.8
[M+Na]+ 392.03052 182.5
[M-H]- 368.03402 178.6
[M+NH4]+ 387.07512 185.8
[M+K]+ 408.00446 180.6
[M+H-H2O]+ 352.03856 168.4
[M+HCOO]- 414.03950 188.9
[M+CH3COO]- 428.05515 217.1
[M+Na-2H]- 390.01597 182.6
[M]+ 369.04075 183.6
[M]- 369.04185 183.6
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