CID 214931

34614-30-7

Structural Information

Molecular Formula
C16H14F3N3O
SMILES
CCCOC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H14F3N3O/c1-2-9-23-15-13-7-4-8-20-14(13)22(21-15)12-6-3-5-11(10-12)16(17,18)19/h3-8,10H,2,9H2,1H3
InChIKey
WRZHSDWNPDUHPC-UHFFFAOYSA-N
Compound name
3-propoxy-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1089 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11618 172.2
[M+Na]+ 344.09812 183.9
[M+NH4]+ 339.14272 177.1
[M+K]+ 360.07206 179.0
[M-H]- 320.10162 170.2
[M+Na-2H]- 342.08357 178.0
[M]+ 321.10835 173.2
[M]- 321.10945 173.2
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.