CID 3066889

Brn 4757576

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

299.08273 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09001 167.4
[M+Na]+ 322.07195 177.2
[M+NH4]+ 317.11655 173.2
[M+K]+ 338.04589 172.8
[M-H]- 298.07545 167.7
[M+Na-2H]- 320.05740 171.0
[M]+ 299.08218 169.1
[M]- 299.08328 169.1
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

patents stripe