CID 91756

Ethametsulfuron-methyl

Structural Information

Molecular Formula
C15H18N6O6S
SMILES
CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)NC
InChI
InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)
InChIKey
ZINJLDJMHCUBIP-UHFFFAOYSA-N
Compound name
methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

27625
Patents

410.10086 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10814 190.6
[M+Na]+ 433.09008 196.2
[M-H]- 409.09358 193.8
[M+NH4]+ 428.13468 196.1
[M+K]+ 449.06402 193.3
[M+H-H2O]+ 393.09812 180.3
[M+HCOO]- 455.09906 206.7
[M+CH3COO]- 469.11471 226.1
[M+Na-2H]- 431.07553 195.4
[M]+ 410.10031 195.8
[M]- 410.10141 195.8
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.