CID 6450621

1-(4-methoxystyrenesulphonyl)-2-oxo-5-isopropoxypyrrolidine

Structural Information

Molecular Formula
C16H21NO5S
SMILES
CC(C)OC1CCC(=O)N1S(=O)(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H21NO5S/c1-12(2)22-16-9-8-15(18)17(16)23(19,20)11-10-13-4-6-14(21-3)7-5-13/h4-7,10-12,16H,8-9H2,1-3H3/b11-10+
InChIKey
MJASDBVCPSZISI-ZHACJKMWSA-N
Compound name
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.11404 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12132 179.0
[M+Na]+ 362.10326 187.8
[M+NH4]+ 357.14786 183.9
[M+K]+ 378.07720 183.5
[M-H]- 338.10676 178.7
[M+Na-2H]- 360.08871 181.5
[M]+ 339.11349 180.2
[M]- 339.11459 180.2
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