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 167.8
[M+Na]+ 330.08248 179.7
[M-H]- 306.08598 168.7
[M+NH4]+ 325.12708 181.8
[M+K]+ 346.05642 173.7
[M+H-H2O]+ 290.09052 156.1
[M+HCOO]- 352.09146 185.1
[M+CH3COO]- 366.10711 179.0
[M+Na-2H]- 328.06793 173.2
[M]+ 307.09271 168.5
[M]- 307.09381 168.5
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.