CID 3051710

Pb 1930

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃S

SMILES

CCC1(CCC(=O)N1C2=CC=C(C=C2)S(=O)(=O)N)CC

InChI

InChI=1S/C14H20N2O3S/c1-3-14(4-2)10-9-13(17)16(14)11-5-7-12(8-6-11)20(15,18)19/h5-8H,3-4,9-10H2,1-2H3,(H2,15,18,19)

InChIKey

BNTXDYDHLIGLIF-UHFFFAOYSA-N

Compound name

4-(2,2-diethyl-5-oxopyrrolidin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 296.11948 Da
Monoisotopic Mass: 1.6
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]+	297.126756	166.7
[M+Na]+	319.108698	175.0
[M-H]-	295.112204	172.0
[M+NH4]+	314.153303	184.7
[M+K]+	335.082638	171.0
[M+H-H2O]+	279.116740	160.9
[M+HCOO]-	341.117681	182.6
[M+CH3COO]-	355.133331	200.5
[M+Na-2H]-	317.094146	167.7
[M]+	296.11893142	168.2
[M]-	296.12002858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe