CID 493107

Chembl46986

Structural Information

Molecular Formula
C21H23ClF3N3O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)C(F)(F)F)C3=CC(=NC=C3)Cl
InChI
InChI=1S/C21H23ClF3N3O2/c22-19-15-17(9-10-26-19)28-13-12-27(20(28)29)11-3-1-2-4-14-30-18-7-5-16(6-8-18)21(23,24)25/h5-10,15H,1-4,11-14H2
InChIKey
KRBUGRVYKXBSEM-UHFFFAOYSA-N
Compound name
1-(2-chloropyridin-4-yl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.1431 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.15038 203.6
[M+Na]+ 464.13232 211.1
[M-H]- 440.13582 204.7
[M+NH4]+ 459.17692 211.2
[M+K]+ 480.10626 203.1
[M+H-H2O]+ 424.14036 189.8
[M+HCOO]- 486.14130 211.6
[M+CH3COO]- 500.15695 226.3
[M+Na-2H]- 462.11777 201.1
[M]+ 441.14255 203.8
[M]- 441.14365 203.8
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.