CID 3086706

111711-73-0

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC(=CC(=C2)C)C
InChI
InChI=1S/C14H19NO4S/c1-4-19-14-6-5-13(16)15(14)20(17,18)12-8-10(2)7-11(3)9-12/h7-9,14H,4-6H2,1-3H3
InChIKey
CAFWLZCAKQARGK-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.110776 166.7
[M+Na]+ 320.092718 175.8
[M-H]- 296.096224 172.8
[M+NH4]+ 315.137323 183.5
[M+K]+ 336.066658 172.5
[M+H-H2O]+ 280.100760 160.5
[M+HCOO]- 342.101701 182.4
[M+CH3COO]- 356.117351 199.9
[M+Na-2H]- 318.078166 165.9
[M]+ 297.10295142 171.4
[M]- 297.10404858 171.4
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.