CID 3040756

2(3h)-oxazolone, 3-benzoyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C28H26FN3O3
SMILES
C1CN(CCN1CCC2=C(N(C(=O)O2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C28H26FN3O3/c29-23-13-11-21(12-14-23)26-25(35-28(34)32(26)27(33)22-7-3-1-4-8-22)15-16-30-17-19-31(20-18-30)24-9-5-2-6-10-24/h1-14H,15-20H2
InChIKey
AHIPTSUNNNIZED-UHFFFAOYSA-N
Compound name
3-benzoyl-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

471.19583 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.203106 216.1
[M+Na]+ 494.185048 221.4
[M-H]- 470.188554 226.4
[M+NH4]+ 489.229653 218.7
[M+K]+ 510.158988 214.6
[M+H-H2O]+ 454.193090 201.1
[M+HCOO]- 516.194031 229.2
[M+CH3COO]- 530.209681 222.5
[M+Na-2H]- 492.170496 212.2
[M]+ 471.19528142 213.1
[M]- 471.19637858 213.1
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.