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 192.5
[M+Na]+ 404.17446 198.4
[M-H]- 380.17796 198.6
[M+NH4]+ 399.21906 199.0
[M+K]+ 420.14840 191.6
[M+H-H2O]+ 364.18250 179.5
[M+HCOO]- 426.18344 206.0
[M+CH3COO]- 440.19909 200.1
[M+Na-2H]- 402.15991 191.1
[M]+ 381.18469 188.3
[M]- 381.18579 188.3
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.