CID 3066585

110592-46-6

Structural Information

Molecular Formula
C16H13BrN2O2
SMILES
CC1=C(N=CC=C1)N2C(=O)CC(C2=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C16H13BrN2O2/c1-10-4-3-7-18-15(10)19-14(20)9-13(16(19)21)11-5-2-6-12(17)8-11/h2-8,13H,9H2,1H3
InChIKey
VLEBRWOJQVFPAE-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-1-(3-methylpyridin-2-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.01605 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.02333 173.8
[M+Na]+ 367.00527 178.8
[M+NH4]+ 362.04987 177.7
[M+K]+ 382.97921 179.0
[M-H]- 343.00877 176.4
[M+Na-2H]- 364.99072 178.0
[M]+ 344.01550 174.0
[M]- 344.01660 174.0
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.