CID 3086727

111711-94-5

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₄S

SMILES

CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H16N2O4S/c1-2-18-12-8-7-11(15)14(12)19(16,17)10-5-3-9(13)4-6-10/h3-6,12H,2,7-8,13H2,1H3

InChIKey

IIUICGLUNGGCNS-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)sulfonyl-5-ethoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 284.08307 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]+	285.090346	162.7
[M+Na]+	307.072288	170.8
[M-H]-	283.075794	168.1
[M+NH4]+	302.116893	179.0
[M+K]+	323.046228	167.4
[M+H-H2O]+	267.080330	156.1
[M+HCOO]-	329.081271	179.4
[M+CH3COO]-	343.096921	197.2
[M+Na-2H]-	305.057736	163.2
[M]+	284.08252142	164.4
[M]-	284.08361858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe