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]+ 382.192516 192.5
[M+Na]+ 404.174458 198.4
[M-H]- 380.177964 198.6
[M+NH4]+ 399.219063 199.0
[M+K]+ 420.148398 191.6
[M+H-H2O]+ 364.182500 179.5
[M+HCOO]- 426.183441 206.0
[M+CH3COO]- 440.199091 200.1
[M+Na-2H]- 402.159906 191.1
[M]+ 381.18469142 188.3
[M]- 381.18578858 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.