CID 213539

Itf 1002

Structural Information

Molecular Formula
C22H24F3N3O
SMILES
C1CCN(CC1)CCCOC2=NN(C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H24F3N3O/c23-22(24,25)17-8-6-9-18(16-17)28-20-11-3-2-10-19(20)21(26-28)29-15-7-14-27-12-4-1-5-13-27/h2-3,6,8-11,16H,1,4-5,7,12-15H2
InChIKey
GOOCKQPCDXFPCD-UHFFFAOYSA-N
Compound name
3-(3-piperidin-1-ylpropoxy)-1-[3-(trifluoromethyl)phenyl]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.18713 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19441 195.9
[M+Na]+ 426.17635 206.6
[M+NH4]+ 421.22095 200.8
[M+K]+ 442.15029 200.6
[M-H]- 402.17985 195.8
[M+Na-2H]- 424.16180 201.4
[M]+ 403.18658 197.2
[M]- 403.18768 197.2
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.