CID 493119

Chembl294966

Structural Information

Molecular Formula
C20H23F3N4O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)C(F)(F)F)C3=NC=NC=C3
InChI
InChI=1S/C20H23F3N4O2/c21-20(22,23)16-5-7-17(8-6-16)29-14-4-2-1-3-11-26-12-13-27(19(26)28)18-9-10-24-15-25-18/h5-10,15H,1-4,11-14H2
InChIKey
KAEYSQLBKJYFMX-UHFFFAOYSA-N
Compound name
1-pyrimidin-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

408.1773 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18458 197.3
[M+Na]+ 431.16652 203.6
[M-H]- 407.17002 197.1
[M+NH4]+ 426.21112 203.6
[M+K]+ 447.14046 196.9
[M+H-H2O]+ 391.17456 182.6
[M+HCOO]- 453.17550 208.9
[M+CH3COO]- 467.19115 221.4
[M+Na-2H]- 429.15197 196.5
[M]+ 408.17675 195.0
[M]- 408.17785 195.0
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.