CID 3078398

2(3h)-oxazolone, 4-(4-chlorophenyl)-5-((4-phenyl-1-piperazinyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
C1CN(CCN1CC2=C(NC(=O)O2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C20H20ClN3O2/c21-16-8-6-15(7-9-16)19-18(26-20(25)22-19)14-23-10-12-24(13-11-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,25)
InChIKey
DXIGFCNFNIJASA-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1244 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 188.1
[M+Na]+ 392.11362 195.5
[M-H]- 368.11712 195.5
[M+NH4]+ 387.15822 196.0
[M+K]+ 408.08756 188.4
[M+H-H2O]+ 352.12166 176.4
[M+HCOO]- 414.12260 198.6
[M+CH3COO]- 428.13825 196.7
[M+Na-2H]- 390.09907 187.8
[M]+ 369.12385 186.4
[M]- 369.12495 186.4
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.