CID 92420

Cinosulfuron

Structural Information

Molecular Formula
C15H19N5O7S
SMILES
COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC
InChI
InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)
InChIKey
WMLPCIHUFDKWJU-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[2-(2-methoxyethoxy)phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

20386
Patents

413.10052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.10780 190.3
[M+Na]+ 436.08974 196.5
[M-H]- 412.09324 193.4
[M+NH4]+ 431.13434 196.0
[M+K]+ 452.06368 194.2
[M+H-H2O]+ 396.09778 179.9
[M+HCOO]- 458.09872 206.4
[M+CH3COO]- 472.11437 223.4
[M+Na-2H]- 434.07519 195.5
[M]+ 413.09997 198.9
[M]- 413.10107 198.9
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