CID 3040759

Brn 1162215

Structural Information

Molecular Formula

C₂₁H₂₃N₃O₂

SMILES

C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c25-21-22-20(17-7-3-1-4-8-17)19(26-21)11-12-23-13-15-24(16-14-23)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,22,25)

InChIKey

VBHAFTBQNDBYCG-UHFFFAOYSA-N

Compound name

4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 349.17902 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	350.186296	184.1
[M+Na]+	372.168238	189.6
[M-H]-	348.171744	191.4
[M+NH4]+	367.212843	191.7
[M+K]+	388.142178	183.5
[M+H-H2O]+	332.176280	172.2
[M+HCOO]-	394.177221	199.1
[M+CH3COO]-	408.192871	192.6
[M+Na-2H]-	370.153686	184.8
[M]+	349.17847142	180.2
[M]-	349.17956858	180.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.