CID 493096

Chembl42613

Structural Information

Molecular Formula
C23H25N3O2S
SMILES
C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C3=CC=CS3)C4=CC=NC=C4
InChI
InChI=1S/C23H25N3O2S/c27-23-25(15-16-26(23)20-10-12-24-13-11-20)14-2-1-3-17-28-21-8-6-19(7-9-21)22-5-4-18-29-22/h4-13,18H,1-3,14-17H2
InChIKey
ZECIRUYCGMTMJS-UHFFFAOYSA-N
Compound name
1-pyridin-4-yl-3-[5-(4-thiophen-2-ylphenoxy)pentyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.16675 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17403 197.7
[M+Na]+ 430.15597 204.5
[M-H]- 406.15947 206.8
[M+NH4]+ 425.20057 208.2
[M+K]+ 446.12991 198.1
[M+H-H2O]+ 390.16401 187.4
[M+HCOO]- 452.16495 212.7
[M+CH3COO]- 466.18060 206.6
[M+Na-2H]- 428.14142 193.1
[M]+ 407.16620 200.8
[M]- 407.16730 200.8
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.