CID 3053141

1'-(4-bromophenyl)-(1,3'-bipyrrolidine)-2,2',5,5'-tetrone

Structural Information

Molecular Formula
C14H11BrN2O4
SMILES
C1CC(=O)N(C1=O)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H11BrN2O4/c15-8-1-3-9(4-2-8)16-13(20)7-10(14(16)21)17-11(18)5-6-12(17)19/h1-4,10H,5-7H2
InChIKey
DLWUEXUEYUAOTP-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.99023 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.997506 169.8
[M+Na]+ 372.979448 182.1
[M-H]- 348.982954 180.3
[M+NH4]+ 368.024053 187.6
[M+K]+ 388.953388 171.0
[M+H-H2O]+ 332.987490 169.0
[M+HCOO]- 394.988431 188.0
[M+CH3COO]- 409.004081 205.9
[M+Na-2H]- 370.964896 168.4
[M]+ 349.98968142 187.2
[M]- 349.99077858 187.2
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.