CID 3623881

Ethoxysulfuron

Structural Information

Molecular Formula

C₁₅H₁₈N₄O₇S

SMILES

CCOC1=CC=CC=C1OS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)

InChIKey

UWVKRNOCDUPIDM-UHFFFAOYSA-N

Compound name

(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 16
References: 24632
Patents: 398.08963 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	399.096906	186.6
[M+Na]+	421.078848	192.9
[M-H]-	397.082354	191.0
[M+NH4]+	416.123453	194.3
[M+K]+	437.052788	190.9
[M+H-H2O]+	381.086890	176.7
[M+HCOO]-	443.087831	204.1
[M+CH3COO]-	457.103481	220.6
[M+Na-2H]-	419.064296	191.7
[M]+	398.08908142	195.0
[M]-	398.09017858	195.0

Literature stripe

literature stripe

Patent stripe

patents stripe