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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03865 153.4
[M+Na]+ 278.02059 163.2
[M-H]- 254.02409 158.0
[M+NH4]+ 273.06519 169.5
[M+K]+ 293.99453 159.7
[M+H-H2O]+ 238.02863 146.7
[M+HCOO]- 300.02957 170.0
[M+CH3COO]- 314.04522 190.2
[M+Na-2H]- 276.00604 155.1
[M]+ 255.03082 153.9
[M]- 255.03192 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.