CID 3021875

3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one

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

3
Patents

321.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 178.9
[M+Na]+ 344.17332 182.7
[M-H]- 320.17682 184.9
[M+NH4]+ 339.21792 188.8
[M+K]+ 360.14726 175.7
[M+H-H2O]+ 304.18136 167.0
[M+HCOO]- 366.18230 192.2
[M+CH3COO]- 380.19795 186.7
[M+Na-2H]- 342.15877 177.6
[M]+ 321.18355 169.8
[M]- 321.18465 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