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 174.2
[M+Na]+ 348.08762 182.0
[M-H]- 324.09112 179.7
[M+NH4]+ 343.13222 189.4
[M+K]+ 364.06156 178.6
[M+H-H2O]+ 308.09566 167.4
[M+HCOO]- 370.09660 190.0
[M+CH3COO]- 384.11225 202.3
[M+Na-2H]- 346.07307 173.8
[M]+ 325.09785 179.4
[M]- 325.09895 179.4
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