CID 86304

Ethametsulfuron

Structural Information

Molecular Formula
C14H16N6O6S
SMILES
CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)NC
InChI
InChI=1S/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)
InChIKey
IRLGCAJYYKDTCG-UHFFFAOYSA-N
Compound name
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13450
Patents

396.0852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.09248 185.8
[M+Na]+ 419.07442 191.4
[M-H]- 395.07792 187.8
[M+NH4]+ 414.11902 191.1
[M+K]+ 435.04836 187.8
[M+H-H2O]+ 379.08246 176.0
[M+HCOO]- 441.08340 200.7
[M+CH3COO]- 455.09905 221.9
[M+Na-2H]- 417.05987 190.7
[M]+ 396.08465 189.0
[M]- 396.08575 189.0
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.