CID 139597783

5,7-di-oh-xde-742

Structural Information

Molecular Formula
C12H9F3N6O5S
SMILES
COC1=NC=CC(=C1S(=O)(=O)NC2=NN3C(=CC(=O)NC3=N2)O)C(F)(F)F
InChI
InChI=1S/C12H9F3N6O5S/c1-26-9-8(5(2-3-16-9)12(13,14)15)27(24,25)20-10-18-11-17-6(22)4-7(23)21(11)19-10/h2-4,23H,1H3,(H2,17,18,19,20,22)
InChIKey
XAYNJCXEKUZVGD-UHFFFAOYSA-N
Compound name
N-(7-hydroxy-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

406.03073 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.03801 181.6
[M+Na]+ 429.01995 189.2
[M+NH4]+ 424.06455 181.7
[M+K]+ 444.99389 188.5
[M-H]- 405.02345 175.3
[M+Na-2H]- 427.00540 183.5
[M]+ 406.03018 180.6
[M]- 406.03128 180.6
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.