CID 5278465

Chembl195715

Structural Information

Molecular Formula
C25H27ClN4O2
SMILES
CN(CCN1CCN(C1=O)C2=CC=NC=C2)CCOC3=CC=C(C=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H27ClN4O2/c1-28(14-15-29-16-17-30(25(29)31)23-10-12-27-13-11-23)18-19-32-24-8-4-21(5-9-24)20-2-6-22(26)7-3-20/h2-13H,14-19H2,1H3
InChIKey
NUXYCVQITJEHTB-UHFFFAOYSA-N
Compound name
1-[2-[2-[4-(4-chlorophenyl)phenoxy]ethyl-methylamino]ethyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

450.18225 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18953 210.0
[M+Na]+ 473.17147 215.4
[M-H]- 449.17497 219.0
[M+NH4]+ 468.21607 216.7
[M+K]+ 489.14541 208.3
[M+H-H2O]+ 433.17951 196.4
[M+HCOO]- 495.18045 224.1
[M+CH3COO]- 509.19610 217.5
[M+Na-2H]- 471.15692 208.5
[M]+ 450.18170 213.1
[M]- 450.18280 213.1
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