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]+ 312.09001 169.0
[M+Na]+ 334.07195 176.9
[M-H]- 310.07545 174.8
[M+NH4]+ 329.11655 184.6
[M+K]+ 350.04589 174.2
[M+H-H2O]+ 294.07999 162.6
[M+HCOO]- 356.08093 184.1
[M+CH3COO]- 370.09658 200.9
[M+Na-2H]- 332.05740 168.2
[M]+ 311.08218 173.4
[M]- 311.08328 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.