CID 3040748

Brn 1175363

Structural Information

Molecular Formula
C23H26FN3O2
SMILES
CCN1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H26FN3O2/c1-2-27-22(18-8-10-19(24)11-9-18)21(29-23(27)28)12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3
InChIKey
ZLGWHWYWFMOVJY-UHFFFAOYSA-N
Compound name
3-ethyl-4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.2009 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20818 197.9
[M+Na]+ 418.19012 204.8
[M-H]- 394.19362 205.5
[M+NH4]+ 413.23472 204.8
[M+K]+ 434.16406 198.5
[M+H-H2O]+ 378.19816 184.6
[M+HCOO]- 440.19910 212.5
[M+CH3COO]- 454.21475 206.1
[M+Na-2H]- 416.17557 195.6
[M]+ 395.20035 196.2
[M]- 395.20145 196.2
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.