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 187.7
[M+Na]+ 398.10326 194.7
[M-H]- 374.10676 196.2
[M+NH4]+ 393.14786 200.3
[M+K]+ 414.07720 190.7
[M+H-H2O]+ 358.11130 179.4
[M+HCOO]- 420.11224 203.5
[M+CH3COO]- 434.12789 211.7
[M+Na-2H]- 396.08871 187.6
[M]+ 375.11349 192.4
[M]- 375.11459 192.4
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