CID 3086697

Brn 4760491

Structural Information

Molecular Formula
C16H17NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H17NO4S/c1-2-21-16-11-10-15(18)17(16)22(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,16H,2,10-11H2,1H3
InChIKey
WWVLYILNKVYSJU-UHFFFAOYSA-N
Compound name
5-ethoxy-1-naphthalen-1-ylsulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.08783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09511 171.8
[M+Na]+ 342.07705 183.6
[M+NH4]+ 337.12165 179.1
[M+K]+ 358.05099 177.4
[M-H]- 318.08055 173.8
[M+Na-2H]- 340.06250 176.9
[M]+ 319.08728 174.4
[M]- 319.08838 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

No patent data available for this compound.