CID 3086695

Brn 4765135

Structural Information

Molecular Formula
C19H21NO5S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H21NO5S/c1-2-24-19-13-12-18(21)20(19)26(22,23)17-10-8-16(9-11-17)25-14-15-6-4-3-5-7-15/h3-11,19H,2,12-14H2,1H3
InChIKey
CNPKFZRFVYIOBB-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-phenylmethoxyphenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

375.11404 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12132 186.7
[M+Na]+ 398.10326 198.3
[M+NH4]+ 393.14786 192.8
[M+K]+ 414.07720 192.1
[M-H]- 374.10676 189.8
[M+Na-2H]- 396.08871 193.3
[M]+ 375.11349 189.6
[M]- 375.11459 189.6
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