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
2
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]+ 356.06011 181.3
[M+Na]+ 378.04205 195.0
[M-H]- 354.04555 177.8
[M+NH4]+ 373.08665 187.3
[M+K]+ 394.01599 187.1
[M+H-H2O]+ 338.05009 168.8
[M+HCOO]- 400.05103 191.8
[M+CH3COO]- 414.06668 208.0
[M+Na-2H]- 376.02750 186.4
[M]+ 355.05228 179.6
[M]- 355.05338 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.