CID 3078170

1-benzenesulfonyl-2-oxo-3-acetoxy-5-ethoxypyrrolidine

Structural Information

Molecular Formula
C14H17NO6S
SMILES
CCO[C@@H]1C[C@H](C(=O)N1S(=O)(=O)C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C14H17NO6S/c1-3-20-13-9-12(21-10(2)16)14(17)15(13)22(18,19)11-7-5-4-6-8-11/h4-8,12-13H,3,9H2,1-2H3/t12-,13-/m1/s1
InChIKey
BGXBBWNTWUBMSI-CHWSQXEVSA-N
Compound name
[(3R,5R)-1-(benzenesulfonyl)-5-ethoxy-2-oxopyrrolidin-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

327.07767 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08495 173.3
[M+Na]+ 350.06689 182.0
[M+NH4]+ 345.11149 178.0
[M+K]+ 366.04083 178.8
[M-H]- 326.07039 172.6
[M+Na-2H]- 348.05234 176.0
[M]+ 327.07712 174.4
[M]- 327.07822 174.4
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