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

24475
Patents

398.08963 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09691 186.6
[M+Na]+ 421.07885 192.9
[M-H]- 397.08235 191.0
[M+NH4]+ 416.12345 194.3
[M+K]+ 437.05279 190.9
[M+H-H2O]+ 381.08689 176.7
[M+HCOO]- 443.08783 204.1
[M+CH3COO]- 457.10348 220.6
[M+Na-2H]- 419.06430 191.7
[M]+ 398.08908 195.0
[M]- 398.09018 195.0
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.