CID 170915325

6-(2,6-dioxopiperidin-3-yl)-1h,2h,3h,5h,6h,7h-imidazo[4,5-f]isoindole-2,5,7-trione

Structural Information

Molecular Formula

C₁₄H₁₀N₄O₅

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=CC4=C(C=C3C2=O)NC(=O)N4

InChI

InChI=1S/C14H10N4O5/c19-10-2-1-9(11(20)17-10)18-12(21)5-3-7-8(16-14(23)15-7)4-6(5)13(18)22/h3-4,9H,1-2H2,(H2,15,16,23)(H,17,19,20)

InChIKey

LTZZABZKAIPGAL-UHFFFAOYSA-N

Compound name

6-(2,6-dioxopiperidin-3-yl)-1,3-dihydropyrrolo[3,4-f]benzimidazole-2,5,7-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.06512 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.072396	170.2
[M+Na]+	337.054338	181.5
[M-H]-	313.057844	171.4
[M+NH4]+	332.098943	183.0
[M+K]+	353.028278	174.5
[M+H-H2O]+	297.062380	163.0
[M+HCOO]-	359.063321	183.0
[M+CH3COO]-	373.078971	180.0
[M+Na-2H]-	335.039786	169.1
[M]+	314.06457142	167.5
[M]-	314.06566858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.