CID 493097

Chembl44346

Structural Information

Molecular Formula
C24H27N3O2S
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)C3=CC=CS3)C4=CC=NC=C4
InChI
InChI=1S/C24H27N3O2S/c28-24-26(16-17-27(24)21-11-13-25-14-12-21)15-3-1-2-4-18-29-22-9-7-20(8-10-22)23-6-5-19-30-23/h5-14,19H,1-4,15-18H2
InChIKey
FKBXFAMZNPQGBH-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-3-[6-(4-thiophen-2-ylphenoxy)hexyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.1824 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18968 201.8
[M+Na]+ 444.17162 208.1
[M-H]- 420.17512 210.6
[M+NH4]+ 439.21622 211.6
[M+K]+ 460.14556 201.5
[M+H-H2O]+ 404.17966 191.2
[M+HCOO]- 466.18060 216.4
[M+CH3COO]- 480.19625 210.2
[M+Na-2H]- 442.15707 196.7
[M]+ 421.18185 205.2
[M]- 421.18295 205.2
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

No patent data available for this compound.