CID 165993560

3-{7-bromo-1,3-dioxo-1h,2h,3h-pyrrolo[3,4-c]pyridin-2-yl}piperidine-2,6-dione

Structural Information

Molecular Formula
C12H8BrN3O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CN=CC(=C3C2=O)Br
InChI
InChI=1S/C12H8BrN3O4/c13-6-4-14-3-5-9(6)12(20)16(11(5)19)7-1-2-8(17)15-10(7)18/h3-4,7H,1-2H2,(H,15,17,18)
InChIKey
DQSDRNUHGZHRRW-UHFFFAOYSA-N
Compound name
7-bromo-2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.96982 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.97710 170.9
[M+Na]+ 359.95904 172.9
[M+NH4]+ 355.00364 172.7
[M+K]+ 375.93298 175.6
[M-H]- 335.96254 169.4
[M+Na-2H]- 357.94449 169.9
[M]+ 336.96927 169.1
[M]- 336.97037 169.1
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.