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
3
Annotation Hits

16
References

22229
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 187.4
[M+Na]+ 421.07885 196.3
[M+NH4]+ 416.12345 190.0
[M+K]+ 437.05279 192.1
[M-H]- 397.08235 187.4
[M+Na-2H]- 419.06430 192.2
[M]+ 398.08908 188.6
[M]- 398.09018 188.6
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