CID 3078365

Brn 6540241

Structural Information

Molecular Formula
C22H24FN3O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCC3=C(NC(=O)O3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H24FN3O3/c1-28-19-8-6-18(7-9-19)26-14-12-25(13-15-26)11-10-20-21(24-22(27)29-20)16-2-4-17(23)5-3-16/h2-9H,10-15H2,1H3,(H,24,27)
InChIKey
OUWXZWQCGJZYLD-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-[4-(4-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 199.3
[M+Na]+ 420.16940 213.0
[M+NH4]+ 415.21400 204.5
[M+K]+ 436.14334 207.4
[M-H]- 396.17290 204.5
[M+Na-2H]- 418.15485 206.1
[M]+ 397.17963 202.6
[M]- 397.18073 202.6
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.