CID 5278479

Chembl444615

Structural Information

Molecular Formula
C26H28ClN3O2
SMILES
CC(CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)Cl)CN3CCN(C3=O)C4=CC=NC=C4
InChI
InChI=1S/C26H28ClN3O2/c1-20(19-29-16-17-30(26(29)31)24-12-14-28-15-13-24)3-2-18-32-25-10-6-22(7-11-25)21-4-8-23(27)9-5-21/h4-15,20H,2-3,16-19H2,1H3
InChIKey
WRIVHMMUCLJJIK-UHFFFAOYSA-N
Compound name
1-[5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

449.187 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19428 211.1
[M+Na]+ 472.17622 216.5
[M-H]- 448.17972 218.6
[M+NH4]+ 467.22082 217.4
[M+K]+ 488.15016 208.4
[M+H-H2O]+ 432.18426 197.8
[M+HCOO]- 494.18520 222.3
[M+CH3COO]- 508.20085 218.0
[M+Na-2H]- 470.16167 207.8
[M]+ 449.18645 213.3
[M]- 449.18755 213.3
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