CID 11571555

Pyroxsulam

Structural Information

Molecular Formula
C14H13F3N6O5S
SMILES
COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC
InChI
InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)
InChIKey
GLBLPMUBLHYFCW-UHFFFAOYSA-N
Compound name
N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

16272
Patents

434.062 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.06928 195.9
[M+Na]+ 457.05122 208.4
[M-H]- 433.05472 195.6
[M+NH4]+ 452.09582 202.2
[M+K]+ 473.02516 203.5
[M+H-H2O]+ 417.05926 184.8
[M+HCOO]- 479.06020 206.3
[M+CH3COO]- 493.07585 225.0
[M+Na-2H]- 455.03667 200.6
[M]+ 434.06145 202.9
[M]- 434.06255 202.9
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.