CID 3086707

111711-74-1

Structural Information

Molecular Formula
C13H17NO5S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC(=C2)OC
InChI
InChI=1S/C13H17NO5S/c1-3-19-13-8-7-12(15)14(13)20(16,17)11-6-4-5-10(9-11)18-2/h4-6,9,13H,3,7-8H2,1-2H3
InChIKey
RFUXRLMCHVBLFE-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08273 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.090006 165.9
[M+Na]+ 322.071948 174.3
[M-H]- 298.075454 171.8
[M+NH4]+ 317.116553 182.2
[M+K]+ 338.045888 171.9
[M+H-H2O]+ 282.079990 159.5
[M+HCOO]- 344.080931 182.2
[M+CH3COO]- 358.096581 197.8
[M+Na-2H]- 320.057396 166.5
[M]+ 299.08218142 171.3
[M]- 299.08327858 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.