CID 3078167

5-ethoxy-3-hydroxy-1-(phenylsulfonyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C12H15NO5S
SMILES
CCOC1CC(C(=O)N1S(=O)(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C12H15NO5S/c1-2-18-11-8-10(14)12(15)13(11)19(16,17)9-6-4-3-5-7-9/h3-7,10-11,14H,2,8H2,1H3
InChIKey
LTIIFQOJIGVKBQ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-ethoxy-3-hydroxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

285.0671 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07438 163.3
[M+Na]+ 308.05632 172.7
[M+NH4]+ 303.10092 168.9
[M+K]+ 324.03026 168.8
[M-H]- 284.05982 163.1
[M+Na-2H]- 306.04177 166.5
[M]+ 285.06655 164.7
[M]- 285.06765 164.7
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