CID 36858

34580-65-9

Structural Information

Molecular Formula
C17H14F3N3O3
SMILES
CCOC(=O)COC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H14F3N3O3/c1-2-25-14(24)10-26-16-13-7-4-8-21-15(13)23(22-16)12-6-3-5-11(9-12)17(18,19)20/h3-9H,2,10H2,1H3
InChIKey
JGHXHFHJVYSBOU-UHFFFAOYSA-N
Compound name
ethyl 2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.09872 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10600 181.3
[M+Na]+ 388.08794 191.5
[M+NH4]+ 383.13254 184.6
[M+K]+ 404.06188 188.1
[M-H]- 364.09144 178.0
[M+Na-2H]- 386.07339 185.6
[M]+ 365.09817 181.5
[M]- 365.09927 181.5
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.