CID 6450616

1-(4-methoxystyrenesulphonyl)-2-oxo-5-ethoxypyrrolidine

Structural Information

Molecular Formula
C15H19NO5S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H19NO5S/c1-3-21-15-9-8-14(17)16(15)22(18,19)11-10-12-4-6-13(20-2)7-5-12/h4-7,10-11,15H,3,8-9H2,1-2H3/b11-10+
InChIKey
CMDRHQMJVGPJMF-ZHACJKMWSA-N
Compound name
5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.0984 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10568 175.6
[M+Na]+ 348.08762 185.0
[M+NH4]+ 343.13222 180.8
[M+K]+ 364.06156 180.0
[M-H]- 324.09112 175.6
[M+Na-2H]- 346.07307 178.6
[M]+ 325.09785 177.1
[M]- 325.09895 177.1
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