CID 493092

Chembl46381

Structural Information

Molecular Formula
C25H27N3O2
SMILES
C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=NC=C4
InChI
InChI=1S/C25H27N3O2/c29-25-27(18-19-28(25)23-13-15-26-16-14-23)17-5-2-6-20-30-24-11-9-22(10-12-24)21-7-3-1-4-8-21/h1,3-4,7-16H,2,5-6,17-20H2
InChIKey
SOIBWQCHMCSSBA-UHFFFAOYSA-N
Compound name
1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

401.21033 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21761 199.6
[M+Na]+ 424.19955 204.3
[M-H]- 400.20305 207.1
[M+NH4]+ 419.24415 206.8
[M+K]+ 440.17349 197.0
[M+H-H2O]+ 384.20759 186.2
[M+HCOO]- 446.20853 216.9
[M+CH3COO]- 460.22418 207.2
[M+Na-2H]- 422.18500 199.2
[M]+ 401.20978 199.3
[M]- 401.21088 199.3
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

No patent data available for this compound.