CID 3049663

65116-24-7

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₄S

SMILES

CCCC1C(C(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C14H18N2O4S/c1-3-4-12-9(2)13(17)16(14(12)18)10-5-7-11(8-6-10)21(15,19)20/h5-9,12H,3-4H2,1-2H3,(H2,15,19,20)

InChIKey

ILQSRBLEIUSHTA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 310.09872 Da
Monoisotopic Mass: 1.3
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]+	311.105996	170.0
[M+Na]+	333.087938	179.1
[M-H]-	309.091444	175.8
[M+NH4]+	328.132543	185.7
[M+K]+	349.061878	174.8
[M+H-H2O]+	293.095980	163.7
[M+HCOO]-	355.096921	186.1
[M+CH3COO]-	369.112571	204.9
[M+Na-2H]-	331.073386	168.3
[M]+	310.09817142	172.6
[M]-	310.09926858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe