CID 214918

Itf 1025

Structural Information

Molecular Formula
C15H12F3N3O
SMILES
CCOC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H12F3N3O/c1-2-22-14-12-7-4-8-19-13(12)21(20-14)11-6-3-5-10(9-11)15(16,17)18/h3-9H,2H2,1H3
InChIKey
FCCSJNWKHDILGK-UHFFFAOYSA-N
Compound name
3-ethoxy-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.09326 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10054 168.0
[M+Na]+ 330.08248 179.9
[M+NH4]+ 325.12708 173.0
[M+K]+ 346.05642 175.1
[M-H]- 306.08598 166.0
[M+Na-2H]- 328.06793 174.0
[M]+ 307.09271 169.0
[M]- 307.09381 169.0
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.