CID 3078399

Brn 1186984

Structural Information

Molecular Formula
C27H26FN3O2
SMILES
C1CN(CCN1CCC2=C(N(C(=O)O2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C27H26FN3O2/c28-22-13-11-21(12-14-22)26-25(33-27(32)31(26)24-9-5-2-6-10-24)15-16-29-17-19-30(20-18-29)23-7-3-1-4-8-23/h1-14H,15-20H2
InChIKey
ZWFICUBKYMXFCW-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-3-phenyl-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

443.2009 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.20818 210.1
[M+Na]+ 466.19012 216.2
[M-H]- 442.19362 220.3
[M+NH4]+ 461.23472 214.0
[M+K]+ 482.16406 208.7
[M+H-H2O]+ 426.19816 195.1
[M+HCOO]- 488.19910 224.1
[M+CH3COO]- 502.21475 217.1
[M+Na-2H]- 464.17557 207.5
[M]+ 443.20035 206.7
[M]- 443.20145 206.7
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.