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 181.9
[M+Na]+ 388.08794 192.4
[M-H]- 364.09144 182.6
[M+NH4]+ 383.13254 193.1
[M+K]+ 404.06188 187.2
[M+H-H2O]+ 348.09598 169.7
[M+HCOO]- 410.09692 198.0
[M+CH3COO]- 424.11257 213.0
[M+Na-2H]- 386.07339 185.4
[M]+ 365.09817 184.6
[M]- 365.09927 184.6
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.