CID 5278460

Chembl193187

Structural Information

Molecular Formula
C28H24ClN3O2
SMILES
C1CN(C(=O)N1CC2=CC=C(C=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C5=CC=NC=C5
InChI
InChI=1S/C28H24ClN3O2/c29-25-9-5-23(6-10-25)24-7-11-27(12-8-24)34-20-22-3-1-21(2-4-22)19-31-17-18-32(28(31)33)26-13-15-30-16-14-26/h1-16H,17-20H2
InChIKey
LYFIKDXGHYCONA-UHFFFAOYSA-N
Compound name
1-[[4-[[4-(4-chlorophenyl)phenoxy]methyl]phenyl]methyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

469.1557 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.16298 216.3
[M+Na]+ 492.14492 223.1
[M-H]- 468.14842 227.0
[M+NH4]+ 487.18952 221.3
[M+K]+ 508.11886 213.7
[M+H-H2O]+ 452.15296 201.6
[M+HCOO]- 514.15390 228.6
[M+CH3COO]- 528.16955 223.3
[M+Na-2H]- 490.13037 214.1
[M]+ 469.15515 217.2
[M]- 469.15625 217.2
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