CID 155293044

2-{1-[2-(morpholin-4-yl)ethyl]piperidin-2-yl}-3-propyl-6-(trifluoromethoxy)-1h-indole

Structural Information

Molecular Formula
C23H32F3N3O2
SMILES
CCCC1=C(NC2=C1C=CC(=C2)OC(F)(F)F)C3CCCCN3CCN4CCOCC4
InChI
InChI=1S/C23H32F3N3O2/c1-2-5-19-18-8-7-17(31-23(24,25)26)16-20(18)27-22(19)21-6-3-4-9-29(21)11-10-28-12-14-30-15-13-28/h7-8,16,21,27H,2-6,9-15H2,1H3
InChIKey
UNPIVXUWRQMOQC-UHFFFAOYSA-N
Compound name
4-[2-[2-[3-propyl-6-(trifluoromethoxy)-1H-indol-2-yl]piperidin-1-yl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.24466 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.25194 209.1
[M+Na]+ 462.23388 212.8
[M-H]- 438.23738 209.3
[M+NH4]+ 457.27848 214.5
[M+K]+ 478.20782 206.4
[M+H-H2O]+ 422.24192 195.2
[M+HCOO]- 484.24286 213.8
[M+CH3COO]- 498.25851 226.2
[M+Na-2H]- 460.21933 205.6
[M]+ 439.24411 201.8
[M]- 439.24521 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.