CID 56160

Chlorimuron-ethyl

Structural Information

Molecular Formula
C15H15ClN4O6S
SMILES
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC
InChI
InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
InChIKey
NSWAMPCUPHPTTC-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

79
References

20015
Patents

414.04007 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.04735 188.0
[M+Na]+ 437.02929 195.3
[M-H]- 413.03279 192.8
[M+NH4]+ 432.07389 196.2
[M+K]+ 453.00323 191.4
[M+H-H2O]+ 397.03733 179.6
[M+HCOO]- 459.03827 200.1
[M+CH3COO]- 473.05392 221.3
[M+Na-2H]- 435.01474 191.5
[M]+ 414.03952 195.9
[M]- 414.04062 195.9
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