CID 3086709

Brn 4760419

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]+ 312.09001 170.3
[M+Na]+ 334.07195 179.6
[M+NH4]+ 329.11655 175.6
[M+K]+ 350.04589 175.7
[M-H]- 310.07545 170.2
[M+Na-2H]- 332.05740 173.4
[M]+ 311.08218 171.7
[M]- 311.08328 171.7
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.