CID 206536

28103-49-3

Structural Information

Molecular Formula

C₂₁H₂₄N₂O₄S

SMILES

CCCCC1C(=O)N(C(=O)C1(C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H24N2O4S/c1-3-4-10-18-19(24)23(16-11-13-17(14-12-16)28(22,26)27)20(25)21(18,2)15-8-6-5-7-9-15/h5-9,11-14,18H,3-4,10H2,1-2H3,(H2,22,26,27)

InChIKey

IOAHQDLDOXOCAD-UHFFFAOYSA-N

Compound name

4-(4-butyl-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 400.1457 Da
Monoisotopic Mass: 3.3
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]+	401.152976	194.4
[M+Na]+	423.134918	202.7
[M-H]-	399.138424	202.9
[M+NH4]+	418.179523	207.9
[M+K]+	439.108858	197.0
[M+H-H2O]+	383.142960	186.9
[M+HCOO]-	445.143901	209.7
[M+CH3COO]-	459.159551	221.3
[M+Na-2H]-	421.120366	193.6
[M]+	400.14515142	197.4
[M]-	400.14624858	197.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.