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 164.2
[M+Na]+ 359.95904 177.0
[M-H]- 335.96254 169.8
[M+NH4]+ 355.00364 180.0
[M+K]+ 375.93298 164.7
[M+H-H2O]+ 319.96708 163.1
[M+HCOO]- 381.96802 178.0
[M+CH3COO]- 395.98367 202.6
[M+Na-2H]- 357.94449 166.3
[M]+ 336.96927 180.3
[M]- 336.97037 180.3
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.