CID 217264

38357-93-6

Structural Information

Molecular Formula
C22H25F3N4O
SMILES
C1CCCN(CC1)CCCOC2=NN(C3=C2C=CC=N3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H25F3N4O/c23-22(24,25)17-8-5-9-18(16-17)29-20-19(10-6-11-26-20)21(27-29)30-15-7-14-28-12-3-1-2-4-13-28/h5-6,8-11,16H,1-4,7,12-15H2
InChIKey
WDGCTMFHOURWAS-UHFFFAOYSA-N
Compound name
3-[3-(azepan-1-yl)propoxy]-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.19806 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20534 193.6
[M+Na]+ 441.18728 202.0
[M+NH4]+ 436.23188 197.1
[M+K]+ 457.16122 198.2
[M-H]- 417.19078 192.6
[M+Na-2H]- 439.17273 198.4
[M]+ 418.19751 194.3
[M]- 418.19861 194.3
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.