CID 55424

Brn 4588658

Structural Information

Molecular Formula
C22H26F3N3O2
SMILES
CC(=O)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C22H26F3N3O2/c1-17(29)26-19-6-8-21(9-7-19)30-15-3-10-27-11-13-28(14-12-27)20-5-2-4-18(16-20)22(23,24)25/h2,4-9,16H,3,10-15H2,1H3,(H,26,29)
InChIKey
KJSFNQGLVXQNCV-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.19772 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20500 202.0
[M+Na]+ 444.18694 205.6
[M-H]- 420.19044 203.5
[M+NH4]+ 439.23154 208.2
[M+K]+ 460.16088 199.5
[M+H-H2O]+ 404.19498 187.8
[M+HCOO]- 466.19592 213.5
[M+CH3COO]- 480.21157 227.8
[M+Na-2H]- 442.17239 201.5
[M]+ 421.19717 195.8
[M]- 421.19827 195.8
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.