CID 146141784

2304513-76-4

Structural Information

Molecular Formula
C13H11BrN2O3
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C13H11BrN2O3/c14-8-2-1-7-6-16(13(19)9(7)5-8)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6H2,(H,15,17,18)
InChIKey
FDMZEIZGNKTOII-UHFFFAOYSA-N
Compound name
3-(5-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

321.9953 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.002576 164.8
[M+Na]+ 344.984518 176.3
[M-H]- 320.988024 171.1
[M+NH4]+ 340.029123 182.4
[M+K]+ 360.958458 164.0
[M+H-H2O]+ 304.992560 164.0
[M+HCOO]- 366.993501 179.2
[M+CH3COO]- 381.009151 199.9
[M+Na-2H]- 342.969966 166.8
[M]+ 321.99475142 179.6
[M]- 321.99584858 179.6
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

patents stripe