CID 145946072

946-734-3

Structural Information

Molecular Formula

C₉H₉N₃O₄S

SMILES

C1CC(=O)N(C1=O)C2=NC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C9H9N3O4S/c10-17(15,16)6-1-2-7(11-5-6)12-8(13)3-4-9(12)14/h1-2,5H,3-4H2,(H2,10,15,16)

InChIKey

LBSDOHDMKVMJLR-UHFFFAOYSA-N

Compound name

6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.03137 Da
Monoisotopic Mass: -1.5
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]+	256.03865	154.3
[M+Na]+	278.02059	163.6
[M+NH4]+	273.06519	159.5
[M+K]+	293.99453	160.4
[M-H]-	254.02409	154.2
[M+Na-2H]-	276.00604	158.0
[M]+	255.03082	155.6
[M]-	255.03192	155.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.