CID 136679661

Pyroxsulam tp2

Structural Information

Molecular Formula
C13H11F3N6O5S
SMILES
COC1=CC(=O)NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F
InChI
InChI=1S/C13H11F3N6O5S/c1-26-8-5-7(23)18-12-19-11(20-22(8)12)21-28(24,25)9-6(13(14,15)16)3-4-17-10(9)27-2/h3-5H,1-2H3,(H2,18,19,20,21,23)
InChIKey
LKRLPTYSSSFJQB-UHFFFAOYSA-N
Compound name
2-methoxy-N-(7-methoxy-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-(trifluoromethyl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

420.0464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.05368 191.4
[M+Na]+ 443.03562 204.2
[M-H]- 419.03912 190.0
[M+NH4]+ 438.08022 197.6
[M+K]+ 459.00956 198.1
[M+H-H2O]+ 403.04366 180.9
[M+HCOO]- 465.04460 200.9
[M+CH3COO]- 479.06025 219.4
[M+Na-2H]- 441.02107 196.2
[M]+ 420.04585 195.7
[M]- 420.04695 195.7
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.