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]+ 398.187456 196.0
[M+Na]+ 420.169398 202.7
[M-H]- 396.172904 202.6
[M+NH4]+ 415.214003 202.1
[M+K]+ 436.143338 196.6
[M+H-H2O]+ 380.177440 183.2
[M+HCOO]- 442.178381 209.7
[M+CH3COO]- 456.194031 203.9
[M+Na-2H]- 418.154846 194.1
[M]+ 397.17963142 193.7
[M]- 397.18072858 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.