CID 92433

Imazosulfuron

Structural Information

Molecular Formula
C14H13ClN6O5S
SMILES
COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(N=C3N2C=CC=C3)Cl)OC
InChI
InChI=1S/C14H13ClN6O5S/c1-25-9-7-10(26-2)18-13(17-9)19-14(22)20-27(23,24)12-11(15)16-8-5-3-4-6-21(8)12/h3-7H,1-2H3,(H2,17,18,19,20,22)
InChIKey
NAGRVUXEKKZNHT-UHFFFAOYSA-N
Compound name
1-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

12
References

26141
Patents

412.03568 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.042956 188.6
[M+Na]+ 435.024898 199.7
[M-H]- 411.028404 193.1
[M+NH4]+ 430.069503 197.6
[M+K]+ 450.998838 194.9
[M+H-H2O]+ 395.032940 180.3
[M+HCOO]- 457.033881 200.9
[M+CH3COO]- 471.049531 220.9
[M+Na-2H]- 433.010346 194.4
[M]+ 412.03513142 198.5
[M]- 412.03622858 198.5
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