CID 6450618

1-(styrenesulphonyl)-2-oxo-5-n-propoxypyrrolidine

Structural Information

Molecular Formula
C15H19NO4S
SMILES
CCCOC1CCC(=O)N1S(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H19NO4S/c1-2-11-20-15-9-8-14(17)16(15)21(18,19)12-10-13-6-4-3-5-7-13/h3-7,10,12,15H,2,8-9,11H2,1H3/b12-10+
InChIKey
NRONIYAKTLUIDX-ZRDIBKRKSA-N
Compound name
1-[(E)-2-phenylethenyl]sulfonyl-5-propoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.1035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11078 172.6
[M+Na]+ 332.09272 182.2
[M+NH4]+ 327.13732 178.4
[M+K]+ 348.06666 176.4
[M-H]- 308.09622 173.0
[M+Na-2H]- 330.07817 176.2
[M]+ 309.10295 174.2
[M]- 309.10405 174.2
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