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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 185.6
[M+Na]+ 372.16824 200.6
[M+NH4]+ 367.21284 192.5
[M+K]+ 388.14218 194.2
[M-H]- 348.17174 192.8
[M+Na-2H]- 370.15369 194.7
[M]+ 349.17847 189.7
[M]- 349.17957 189.7
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.