CID 73282

Triasulfuron

Structural Information

Molecular Formula
C14H16ClN5O5S
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl
InChI
InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKey
XOPFESVZMSQIKC-UHFFFAOYSA-N
Compound name
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

51
References

30810
Patents

401.05606 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06334 186.2
[M+Na]+ 424.04528 194.2
[M-H]- 400.04878 189.6
[M+NH4]+ 419.08988 193.7
[M+K]+ 440.01922 189.4
[M+H-H2O]+ 384.05332 177.1
[M+HCOO]- 446.05426 197.8
[M+CH3COO]- 460.06991 219.4
[M+Na-2H]- 422.03073 190.9
[M]+ 401.05551 193.9
[M]- 401.05661 193.9
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.