CID 493126

Chembl46877

Structural Information

Molecular Formula
C22H25F3N2O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C22H25F3N2O2/c23-22(24,25)18-10-12-20(13-11-18)29-17-7-2-1-6-14-26-15-16-27(21(26)28)19-8-4-3-5-9-19/h3-5,8-13H,1-2,6-7,14-17H2
InChIKey
VVSBSFLZYMSKGX-UHFFFAOYSA-N
Compound name
1-phenyl-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.1868 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19408 197.9
[M+Na]+ 429.17602 203.5
[M-H]- 405.17952 200.1
[M+NH4]+ 424.22062 207.2
[M+K]+ 445.14996 197.0
[M+H-H2O]+ 389.18406 184.7
[M+HCOO]- 451.18500 211.8
[M+CH3COO]- 465.20065 221.9
[M+Na-2H]- 427.16147 196.1
[M]+ 406.18625 195.4
[M]- 406.18735 195.4
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.