CID 161849

2(3h)-oxazolone, 5-(2-(4-(3,5-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H20Cl2FN3O2
SMILES
C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C21H20Cl2FN3O2/c22-15-11-16(23)13-18(12-15)27-9-7-26(8-10-27)6-5-19-20(25-21(28)29-19)14-1-3-17(24)4-2-14/h1-4,11-13H,5-10H2,(H,25,28)
InChIKey
VIASEBSYVIYYEZ-UHFFFAOYSA-N
Compound name
5-[2-[4-(3,5-dichlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

435.09167 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.09895 202.1
[M+Na]+ 458.08089 218.1
[M+NH4]+ 453.12549 208.4
[M+K]+ 474.05483 210.7
[M-H]- 434.08439 207.6
[M+Na-2H]- 456.06634 209.2
[M]+ 435.09112 206.5
[M]- 435.09222 206.5
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

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