CID 135915075

6-(pyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Structural Information

Molecular Formula
C17H10F3N5O
SMILES
C1=CC=NC(=C1)C2=NC3=C(C=NN3C4=CC=CC(=C4)C(F)(F)F)C(=O)N2
InChI
InChI=1S/C17H10F3N5O/c18-17(19,20)10-4-3-5-11(8-10)25-15-12(9-22-25)16(26)24-14(23-15)13-6-1-2-7-21-13/h1-9H,(H,23,24,26)
InChIKey
GNJKIYVIQXKONX-UHFFFAOYSA-N
Compound name
6-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

357.08374 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09102 177.0
[M+Na]+ 380.07296 190.3
[M+NH4]+ 375.11756 180.7
[M+K]+ 396.04690 186.0
[M-H]- 356.07646 175.6
[M+Na-2H]- 378.05841 184.5
[M]+ 357.08319 178.3
[M]- 357.08429 178.3
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

patents stripe