CID 3086696

2-pyrrolidinone, 5-ethoxy-1-(2-naphthalenylsulfonyl)-

Structural Information

Molecular Formula
C16H17NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H17NO4S/c1-2-21-16-10-9-15(18)17(16)22(19,20)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,16H,2,9-10H2,1H3
InChIKey
HDRBAFGMSGSRPZ-UHFFFAOYSA-N
Compound name
5-ethoxy-1-naphthalen-2-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]+ 320.095106 172.7
[M+Na]+ 342.077048 181.5
[M-H]- 318.080554 179.3
[M+NH4]+ 337.121653 189.1
[M+K]+ 358.050988 177.4
[M+H-H2O]+ 302.085090 166.1
[M+HCOO]- 364.086031 187.7
[M+CH3COO]- 378.101681 202.4
[M+Na-2H]- 340.062496 174.7
[M]+ 319.08728142 176.6
[M]- 319.08837858 176.6
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.