CID 214911

34580-70-6

Structural Information

Molecular Formula
C20H21F3N4O
SMILES
C1CCN(CC1)CCOC2=NN(C3=C2C=CC=N3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C20H21F3N4O/c21-20(22,23)15-6-4-7-16(14-15)27-18-17(8-5-9-24-18)19(25-27)28-13-12-26-10-2-1-3-11-26/h4-9,14H,1-3,10-13H2
InChIKey
YDFSEASFEWVONV-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.16675 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17403 193.0
[M+Na]+ 413.15597 200.6
[M-H]- 389.15947 194.0
[M+NH4]+ 408.20057 201.1
[M+K]+ 429.12991 193.0
[M+H-H2O]+ 373.16401 178.2
[M+HCOO]- 435.16495 203.9
[M+CH3COO]- 449.18060 200.2
[M+Na-2H]- 411.14142 194.6
[M]+ 390.16620 188.9
[M]- 390.16730 188.9
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.