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 184.1
[M+Na]+ 372.16824 189.6
[M-H]- 348.17174 191.4
[M+NH4]+ 367.21284 191.7
[M+K]+ 388.14218 183.5
[M+H-H2O]+ 332.17628 172.2
[M+HCOO]- 394.17722 199.1
[M+CH3COO]- 408.19287 192.6
[M+Na-2H]- 370.15369 184.8
[M]+ 349.17847 180.2
[M]- 349.17957 180.2
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.