CID 79611

4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₄S

SMILES

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

InChI

InChI=1S/C10H10N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2,(H2,11,15,16)

InChIKey

CXYJOKAZIWXRHN-UHFFFAOYSA-N

Compound name

4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 254.03613 Da
Monoisotopic Mass: -0.9
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]+	255.04341	154.6
[M+Na]+	277.02535	163.9
[M+NH4]+	272.06995	160.5
[M+K]+	292.99929	160.2
[M-H]-	253.02885	155.3
[M+Na-2H]-	275.01080	158.5
[M]+	254.03558	156.1
[M]-	254.03668	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe