CID 3053142

4-(2,2',5,5'-tetraoxo(1,3'-bipyrrolidin)-1'-yl)benzenesulfonamide

Structural Information

Molecular Formula
C14H13N3O6S
SMILES
C1CC(=O)N(C1=O)C2CC(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C14H13N3O6S/c15-24(22,23)9-3-1-8(2-4-9)16-13(20)7-10(14(16)21)17-11(18)5-6-12(17)19/h1-4,10H,5-7H2,(H2,15,22,23)
InChIKey
OQPZPASTEVHPPI-UHFFFAOYSA-N
Compound name
4-[3-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.05252 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.05980 178.8
[M+Na]+ 374.04174 186.3
[M+NH4]+ 369.08634 182.3
[M+K]+ 390.01568 186.0
[M-H]- 350.04524 179.0
[M+Na-2H]- 372.02719 180.6
[M]+ 351.05197 179.7
[M]- 351.05307 179.7
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.