CID 3078390

2(3h)-oxazolone, 4-(4-fluorophenyl)-5-(3-(4-phenyl-1-piperazinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
C1CN(CCN1CCCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C22H24FN3O2/c23-18-10-8-17(9-11-18)21-20(28-22(27)24-21)7-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27)
InChIKey
RUDVNLIUODSIIS-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.18524 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19252 195.7
[M+Na]+ 404.17446 209.7
[M+NH4]+ 399.21906 201.5
[M+K]+ 420.14840 203.3
[M-H]- 380.17796 201.3
[M+Na-2H]- 402.15991 203.2
[M]+ 381.18469 199.2
[M]- 381.18579 199.2
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.