CID 3053147

1'-(1-naphthalenyl)-(1,3'-bipyrrolidine)-2,2',5,5'-tetrone

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1CC(=O)N(C1=O)C2CC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C18H14N2O4/c21-15-8-9-16(22)19(15)14-10-17(23)20(18(14)24)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14H,8-10H2
InChIKey
MIWLWDJIPXEKRO-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)-1-naphthalen-1-ylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 173.1
[M+Na]+ 345.08459 182.2
[M-H]- 321.08809 182.0
[M+NH4]+ 340.12919 188.9
[M+K]+ 361.05853 177.1
[M+H-H2O]+ 305.09263 165.0
[M+HCOO]- 367.09357 191.8
[M+CH3COO]- 381.10922 184.6
[M+Na-2H]- 343.07004 170.6
[M]+ 322.09482 171.9
[M]- 322.09592 171.9
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

No patent data available for this compound.