CID 493113

Chembl42292

Structural Information

Molecular Formula
C21H24F3N3O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)C(F)(F)F)C3=CN=CC=C3
InChI
InChI=1S/C21H24F3N3O2/c22-21(23,24)17-7-9-19(10-8-17)29-15-4-2-1-3-12-26-13-14-27(20(26)28)18-6-5-11-25-16-18/h5-11,16H,1-4,12-15H2
InChIKey
KEVJDDXKXLAGPH-UHFFFAOYSA-N
Compound name
1-pyridin-3-yl-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

407.18207 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18935 197.6
[M+Na]+ 430.17129 203.5
[M-H]- 406.17479 198.5
[M+NH4]+ 425.21589 205.4
[M+K]+ 446.14523 196.9
[M+H-H2O]+ 390.17933 183.6
[M+HCOO]- 452.18027 210.3
[M+CH3COO]- 466.19592 221.6
[M+Na-2H]- 428.15674 196.3
[M]+ 407.18152 195.2
[M]- 407.18262 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.