CID 3078169

2-pyrrolidinone, 3,5-diethoxy-1-(phenylsulfonyl)-, trans-

Structural Information

Molecular Formula
C14H19NO5S
SMILES
CCO[C@@H]1C[C@H](N(C1=O)S(=O)(=O)C2=CC=CC=C2)OCC
InChI
InChI=1S/C14H19NO5S/c1-3-19-12-10-13(20-4-2)15(14(12)16)21(17,18)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3/t12-,13-/m1/s1
InChIKey
KDNRJXBCWHXSCW-CHWSQXEVSA-N
Compound name
(3R,5R)-1-(benzenesulfonyl)-3,5-diethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0984 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10568 171.6
[M+Na]+ 336.08762 181.2
[M+NH4]+ 331.13222 177.3
[M+K]+ 352.06156 176.6
[M-H]- 312.09112 171.9
[M+Na-2H]- 334.07307 175.0
[M]+ 313.09785 173.2
[M]- 313.09895 173.2
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

No patent data available for this compound.