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]+ 472.20311 216.1
[M+Na]+ 494.18505 221.4
[M-H]- 470.18855 226.4
[M+NH4]+ 489.22965 218.7
[M+K]+ 510.15899 214.6
[M+H-H2O]+ 454.19309 201.1
[M+HCOO]- 516.19403 229.2
[M+CH3COO]- 530.20968 222.5
[M+Na-2H]- 492.17050 212.2
[M]+ 471.19528 213.1
[M]- 471.19638 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.