CID 100975564

Flupyrsulfuron-methyl tp2

Structural Information

Molecular Formula
C13H8F3N5O4
SMILES
COC1=CC(=O)NC(=N1)N2C3=C(C=CC(=N3)C(F)(F)F)C(=O)NC2=O
InChI
InChI=1S/C13H8F3N5O4/c1-25-8-4-7(22)18-11(19-8)21-9-5(10(23)20-12(21)24)2-3-6(17-9)13(14,15)16/h2-4H,1H3,(H,18,19,22)(H,20,23,24)
InChIKey
BMAULBKSSUDLJE-UHFFFAOYSA-N
Compound name
1-(4-methoxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

355.05283 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.060106 181.3
[M+Na]+ 378.042048 195.0
[M-H]- 354.045554 177.8
[M+NH4]+ 373.086653 187.3
[M+K]+ 394.015988 187.1
[M+H-H2O]+ 338.050090 168.8
[M+HCOO]- 400.051031 191.8
[M+CH3COO]- 414.066681 208.0
[M+Na-2H]- 376.027496 186.4
[M]+ 355.05228142 179.6
[M]- 355.05337858 179.6
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

No patent data available for this compound.