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[5,4-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]+ 391.174026 193.0
[M+Na]+ 413.155968 200.6
[M-H]- 389.159474 194.0
[M+NH4]+ 408.200573 201.1
[M+K]+ 429.129908 193.0
[M+H-H2O]+ 373.164010 178.2
[M+HCOO]- 435.164951 203.9
[M+CH3COO]- 449.180601 200.2
[M+Na-2H]- 411.141416 194.6
[M]+ 390.16620142 188.9
[M]- 390.16729858 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.