CID 3078364

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

Structural Information

Molecular Formula
C22H24FN3O3
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CCC3=C(NC(=O)O3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FN3O3/c1-28-19-4-2-3-18(15-19)26-13-11-25(12-14-26)10-9-20-21(24-22(27)29-20)16-5-7-17(23)8-6-16/h2-8,15H,9-14H2,1H3,(H,24,27)
InChIKey
RIIVIEVJSDUAFA-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.18018 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18746 196.0
[M+Na]+ 420.16940 202.7
[M-H]- 396.17290 202.6
[M+NH4]+ 415.21400 202.1
[M+K]+ 436.14334 196.6
[M+H-H2O]+ 380.17744 183.2
[M+HCOO]- 442.17838 209.7
[M+CH3COO]- 456.19403 203.9
[M+Na-2H]- 418.15485 194.1
[M]+ 397.17963 193.7
[M]- 397.18073 193.7
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.