CID 493082

Chembl417175

Structural Information

Molecular Formula
C22H26F3N3O2
SMILES
C1CN(C(=O)N1CCCCCCCOC2=CC=C(C=C2)C(F)(F)F)C3=CC=NC=C3
InChI
InChI=1S/C22H26F3N3O2/c23-22(24,25)18-6-8-20(9-7-18)30-17-5-3-1-2-4-14-27-15-16-28(21(27)29)19-10-12-26-13-11-19/h6-13H,1-5,14-17H2
InChIKey
DTLRGNKRQQNLTO-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-3-[7-[4-(trifluoromethyl)phenoxy]heptyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.19772 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.20500 201.9
[M+Na]+ 444.18694 207.4
[M-H]- 420.19044 202.7
[M+NH4]+ 439.23154 209.2
[M+K]+ 460.16088 200.6
[M+H-H2O]+ 404.19498 187.7
[M+HCOO]- 466.19592 214.3
[M+CH3COO]- 480.21157 224.5
[M+Na-2H]- 442.17239 200.1
[M]+ 421.19717 199.9
[M]- 421.19827 199.9
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.