CID 206102

1-benzyl-3-phenylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO2/c19-16-11-15(14-9-5-2-6-10-14)17(20)18(16)12-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKey
WQMXGDJLQATBGU-UHFFFAOYSA-N
Compound name
1-benzyl-3-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

265.1103 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 160.2
[M+Na]+ 288.09952 168.0
[M-H]- 264.10302 168.8
[M+NH4]+ 283.14412 176.8
[M+K]+ 304.07346 163.0
[M+H-H2O]+ 248.10756 151.6
[M+HCOO]- 310.10850 182.4
[M+CH3COO]- 324.12415 172.5
[M+Na-2H]- 286.08497 162.2
[M]+ 265.10975 158.7
[M]- 265.11085 158.7
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