CID 4961623

794554-83-9

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₅S

SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)O

InChI

InChI=1S/C15H20N2O5S/c1-3-16(4-2)23(21,22)13-7-5-12(6-8-13)17-10-11(15(19)20)9-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)

InChIKey

XNCZUJCDBHKBLN-UHFFFAOYSA-N

Compound name

1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.10928 Da
Monoisotopic Mass: 0.4
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]+	341.116556	176.6
[M+Na]+	363.098498	182.6
[M-H]-	339.102004	182.1
[M+NH4]+	358.143103	190.5
[M+K]+	379.072438	180.2
[M+H-H2O]+	323.106540	169.8
[M+HCOO]-	385.107481	191.3
[M+CH3COO]-	399.123131	209.9
[M+Na-2H]-	361.083946	175.2
[M]+	340.10873142	180.0
[M]-	340.10982858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.