CID 3078361

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

Structural Information

Molecular Formula
C22H24FN3O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=C(NC(=O)O3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FN3O2/c1-16-4-2-3-5-19(16)26-14-12-25(13-15-26)11-10-20-21(24-22(27)28-20)17-6-8-18(23)9-7-17/h2-9H,10-15H2,1H3,(H,24,27)
InChIKey
TZXLAXVXRBCGTC-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-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 193.5
[M+Na]+ 404.17446 200.4
[M-H]- 380.17796 200.0
[M+NH4]+ 399.21906 200.3
[M+K]+ 420.14840 193.6
[M+H-H2O]+ 364.18250 180.8
[M+HCOO]- 426.18344 207.0
[M+CH3COO]- 440.19909 201.5
[M+Na-2H]- 402.15991 191.4
[M]+ 381.18469 189.8
[M]- 381.18579 189.8
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.