CID 3021875

2-pyrrolidinone, 3-phenyl-5-(4-phenyl-1-piperazinyl)-

Structural Information

Molecular Formula
C20H23N3O
SMILES
C1CN(CCN1C2CC(C(=O)N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H23N3O/c24-20-18(16-7-3-1-4-8-16)15-19(21-20)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,21,24)
InChIKey
JSIRECVRTDSTJG-UHFFFAOYSA-N
Compound name
3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

321.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 178.9
[M+Na]+ 344.173318 182.7
[M-H]- 320.176824 184.9
[M+NH4]+ 339.217923 188.8
[M+K]+ 360.147258 175.7
[M+H-H2O]+ 304.181360 167.0
[M+HCOO]- 366.182301 192.2
[M+CH3COO]- 380.197951 186.7
[M+Na-2H]- 342.158766 177.6
[M]+ 321.18355142 169.8
[M]- 321.18464858 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe