CID 6450623

1-(styrenesulphonyl)-2-oxo-5-pentyloxypyrrolidine

Structural Information

Molecular Formula
C17H23NO4S
SMILES
CCCCCOC1CCC(=O)N1S(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H23NO4S/c1-2-3-7-13-22-17-11-10-16(19)18(17)23(20,21)14-12-15-8-5-4-6-9-15/h4-6,8-9,12,14,17H,2-3,7,10-11,13H2,1H3/b14-12+
InChIKey
XYPQOINYDUCKGS-WYMLVPIESA-N
Compound name
5-pentoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.13477 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14205 181.0
[M+Na]+ 360.12399 190.2
[M+NH4]+ 355.16859 186.5
[M+K]+ 376.09793 184.0
[M-H]- 336.12749 181.4
[M+Na-2H]- 358.10944 184.2
[M]+ 337.13422 182.6
[M]- 337.13532 182.6
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

No patent data available for this compound.