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]+ 350.99751 169.8
[M+Na]+ 372.97945 182.1
[M-H]- 348.98295 180.3
[M+NH4]+ 368.02405 187.6
[M+K]+ 388.95339 171.0
[M+H-H2O]+ 332.98749 169.0
[M+HCOO]- 394.98843 188.0
[M+CH3COO]- 409.00408 205.9
[M+Na-2H]- 370.96490 168.4
[M]+ 349.98968 187.2
[M]- 349.99078 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.