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 182.1
[M+Na]+ 380.07296 194.9
[M-H]- 356.07646 182.8
[M+NH4]+ 375.11756 190.0
[M+K]+ 396.04690 185.4
[M+H-H2O]+ 340.08100 168.3
[M+HCOO]- 402.08194 195.5
[M+CH3COO]- 416.09759 191.1
[M+Na-2H]- 378.05841 187.2
[M]+ 357.08319 179.8
[M]- 357.08429 179.8
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