CID 493118

Chembl418628

Structural Information

Molecular Formula
C19H21F3N4O2
SMILES
C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C(F)(F)F)C3=NC=NC=C3
InChI
InChI=1S/C19H21F3N4O2/c20-19(21,22)15-4-6-16(7-5-15)28-13-3-1-2-10-25-11-12-26(18(25)27)17-8-9-23-14-24-17/h4-9,14H,1-3,10-13H2
InChIKey
DGRJVOJKYNTAAI-UHFFFAOYSA-N
Compound name
1-pyrimidin-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

394.16165 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16893 192.9
[M+Na]+ 417.15087 199.7
[M-H]- 393.15437 192.9
[M+NH4]+ 412.19547 199.9
[M+K]+ 433.12481 193.3
[M+H-H2O]+ 377.15891 178.5
[M+HCOO]- 439.15985 205.0
[M+CH3COO]- 453.17550 218.6
[M+Na-2H]- 415.13632 192.7
[M]+ 394.16110 190.4
[M]- 394.16220 190.4
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.