CID 493081

Chembl43329

Structural Information

Molecular Formula
C20H22F3N3O2
SMILES
C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C(F)(F)F)C3=CC=NC=C3
InChI
InChI=1S/C20H22F3N3O2/c21-20(22,23)16-4-6-18(7-5-16)28-15-3-1-2-12-25-13-14-26(19(25)27)17-8-10-24-11-9-17/h4-11H,1-3,12-15H2
InChIKey
YGUGQISGCGZYKP-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-3-[5-[4-(trifluoromethyl)phenoxy]pentyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.1664 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17368 193.2
[M+Na]+ 416.15562 199.6
[M-H]- 392.15912 194.3
[M+NH4]+ 411.20022 201.6
[M+K]+ 432.12956 193.2
[M+H-H2O]+ 376.16366 179.4
[M+HCOO]- 438.16460 206.3
[M+CH3COO]- 452.18025 218.7
[M+Na-2H]- 414.14107 192.4
[M]+ 393.16585 190.5
[M]- 393.16695 190.5
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.