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 171.9
[M+Na]+ 332.09272 179.2
[M-H]- 308.09622 177.2
[M+NH4]+ 327.13732 187.6
[M+K]+ 348.06666 175.1
[M+H-H2O]+ 292.10076 165.0
[M+HCOO]- 354.10170 187.6
[M+CH3COO]- 368.11735 198.9
[M+Na-2H]- 330.07817 171.8
[M]+ 309.10295 175.3
[M]- 309.10405 175.3
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