CID 3086728

111711-95-6

Structural Information

Molecular Formula
C17H17NO4S
SMILES
C1CC(=O)N(C1OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H17NO4S/c19-16-11-12-17(22-13-14-7-3-1-4-8-14)18(16)23(20,21)15-9-5-2-6-10-15/h1-10,17H,11-13H2
InChIKey
YRZCBUSJFOXKAJ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-phenylmethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.08783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09511 176.3
[M+Na]+ 354.07705 183.8
[M-H]- 330.08055 184.9
[M+NH4]+ 349.12165 190.6
[M+K]+ 370.05099 179.4
[M+H-H2O]+ 314.08509 168.4
[M+HCOO]- 376.08603 192.7
[M+CH3COO]- 390.10168 202.4
[M+Na-2H]- 352.06250 177.5
[M]+ 331.08728 178.5
[M]- 331.08838 178.5
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