CID 6450615

2-pyrrolidinone, 5-ethoxy-1-((2-phenylethenyl)sulfonyl)-

Structural Information

Molecular Formula
C14H17NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H17NO4S/c1-2-19-14-9-8-13(16)15(14)20(17,18)11-10-12-6-4-3-5-7-12/h3-7,10-11,14H,2,8-9H2,1H3/b11-10+
InChIKey
RWURZOCIKRPZCG-ZHACJKMWSA-N
Compound name
5-ethoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

295.08783 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09511 167.5
[M+Na]+ 318.07705 175.3
[M-H]- 294.08055 173.0
[M+NH4]+ 313.12165 183.8
[M+K]+ 334.05099 171.4
[M+H-H2O]+ 278.08509 160.8
[M+HCOO]- 340.08603 183.6
[M+CH3COO]- 354.10168 196.0
[M+Na-2H]- 316.06250 167.9
[M]+ 295.08728 170.6
[M]- 295.08838 170.6
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

patents stripe