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

15825
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

literature stripe

Patent stripe

patents stripe