CID 3040752

Brn 1182414

Structural Information

Molecular Formula
C23H24FN3O3
SMILES
CC(=O)N1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H24FN3O3/c1-17(28)27-22(18-7-9-19(24)10-8-18)21(30-23(27)29)11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3
InChIKey
JPPWDXMUCJUVPJ-UHFFFAOYSA-N
Compound name
3-acetyl-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

409.18018 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18746 199.7
[M+Na]+ 432.16940 206.4
[M-H]- 408.17290 207.6
[M+NH4]+ 427.21400 205.8
[M+K]+ 448.14334 200.9
[M+H-H2O]+ 392.17744 186.7
[M+HCOO]- 454.17838 213.7
[M+CH3COO]- 468.19403 207.8
[M+Na-2H]- 430.15485 196.6
[M]+ 409.17963 198.1
[M]- 409.18073 198.1
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.