CID 3086712

Brn 4762477

Structural Information

Molecular Formula
C18H19NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO4S/c1-2-23-18-13-12-17(20)19(18)24(21,22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKey
QMMGIQHZVHQPFD-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-phenylphenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1035 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11078 179.5
[M+Na]+ 368.09272 191.8
[M+NH4]+ 363.13732 186.3
[M+K]+ 384.06666 185.3
[M-H]- 344.09622 183.1
[M+Na-2H]- 366.07817 186.7
[M]+ 345.10295 182.7
[M]- 345.10405 182.7
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

No patent data available for this compound.