CID 52997

Sulfometuron-methyl

Structural Information

Molecular Formula
C15H16N4O5S
SMILES
CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C
InChI
InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
InChIKey
ZDXMLEQEMNLCQG-UHFFFAOYSA-N
Compound name
methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

86
References

13466
Patents

364.08414 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09142 180.6
[M+Na]+ 387.07336 190.3
[M+NH4]+ 382.11796 184.1
[M+K]+ 403.04730 185.7
[M-H]- 363.07686 181.2
[M+Na-2H]- 385.05881 186.0
[M]+ 364.08359 182.2
[M]- 364.08469 182.2
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

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