CID 86443

Oxasulfuron

Structural Information

Molecular Formula
C17H18N4O6S
SMILES
CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3COC3)C
InChI
InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)
InChIKey
IOXAXYHXMLCCJJ-UHFFFAOYSA-N
Compound name
oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

22416
Patents

406.0947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10198 191.1
[M+Na]+ 429.08392 193.6
[M-H]- 405.08742 197.7
[M+NH4]+ 424.12852 190.0
[M+K]+ 445.05786 195.7
[M+H-H2O]+ 389.09196 173.8
[M+HCOO]- 451.09290 203.6
[M+CH3COO]- 465.10855 224.7
[M+Na-2H]- 427.06937 193.1
[M]+ 406.09415 202.8
[M]- 406.09525 202.8
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.