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

literature stripe

Patent stripe

patents stripe