CID 204935

17100-92-4

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₄S

SMILES

CCC1(CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C13H16N2O4S/c1-3-13(2)8-11(16)15(12(13)17)9-4-6-10(7-5-9)20(14,18)19/h4-7H,3,8H2,1-2H3,(H2,14,18,19)

InChIKey

WCHUHMTYPVCQKV-UHFFFAOYSA-N

Compound name

4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 296.08307 Da
Monoisotopic Mass: 0.6
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]+	297.09035	164.0
[M+Na]+	319.07229	173.5
[M-H]-	295.07579	169.7
[M+NH4]+	314.11689	182.0
[M+K]+	335.04623	169.7
[M+H-H2O]+	279.08033	158.6
[M+HCOO]-	341.08127	180.4
[M+CH3COO]-	355.09692	200.1
[M+Na-2H]-	317.05774	165.2
[M]+	296.08252	166.2
[M]-	296.08362	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe