CID 2835929

7685-88-3

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2/c20-16-11-15(18-12-13-7-3-1-4-8-13)17(21)19(16)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2
InChIKey
RLYCOAZCWRPZHI-UHFFFAOYSA-N
Compound name
3-(benzylamino)-1-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.1212 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 163.6
[M+Na]+ 303.110418 170.4
[M-H]- 279.113924 172.1
[M+NH4]+ 298.155023 179.2
[M+K]+ 319.084358 165.4
[M+H-H2O]+ 263.118460 154.5
[M+HCOO]- 325.119401 186.8
[M+CH3COO]- 339.135051 200.9
[M+Na-2H]- 301.095866 166.2
[M]+ 280.12065142 161.5
[M]- 280.12174858 161.5
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.