CID 493093

Dbpr103

Structural Information

Molecular Formula
C25H26ClN3O2
SMILES
C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4
InChI
InChI=1S/C25H26ClN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2
InChIKey
WXSUPRFKEUWQEL-UHFFFAOYSA-N
Compound name
1-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

435.17136 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17864 207.4
[M+Na]+ 458.16058 213.6
[M-H]- 434.16408 214.9
[M+NH4]+ 453.20518 214.4
[M+K]+ 474.13452 205.1
[M+H-H2O]+ 418.16862 194.0
[M+HCOO]- 480.16956 219.8
[M+CH3COO]- 494.18521 214.8
[M+Na-2H]- 456.14603 205.5
[M]+ 435.17081 209.7
[M]- 435.17191 209.7
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.