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

28104
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

literature stripe

Patent stripe

patents stripe