CID 3086709

2-pyrrolidinone, 1-((3-acetylphenyl)sulfonyl)-5-ethoxy-

Structural Information

Molecular Formula
C14H17NO5S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC(=C2)C(=O)C
InChI
InChI=1S/C14H17NO5S/c1-3-20-14-8-7-13(17)15(14)21(18,19)12-6-4-5-11(9-12)10(2)16/h4-6,9,14H,3,7-8H2,1-2H3
InChIKey
FBUOKKICTXSLLX-UHFFFAOYSA-N
Compound name
1-(3-acetylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08273 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.090006 169.0
[M+Na]+ 334.071948 176.9
[M-H]- 310.075454 174.8
[M+NH4]+ 329.116553 184.6
[M+K]+ 350.045888 174.2
[M+H-H2O]+ 294.079990 162.6
[M+HCOO]- 356.080931 184.1
[M+CH3COO]- 370.096581 200.9
[M+Na-2H]- 332.057396 168.2
[M]+ 311.08218142 173.4
[M]- 311.08327858 173.4
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.