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]+ 314.105676 170.3
[M+Na]+ 336.087618 178.3
[M-H]- 312.091124 176.0
[M+NH4]+ 331.132223 186.1
[M+K]+ 352.061558 175.6
[M+H-H2O]+ 296.095660 163.7
[M+HCOO]- 358.096601 186.3
[M+CH3COO]- 372.112251 200.8
[M+Na-2H]- 334.073066 170.5
[M]+ 313.09785142 176.0
[M]- 313.09894858 176.0
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.