CID 6450618

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

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

1
Patents

309.1035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.110776 171.9
[M+Na]+ 332.092718 179.2
[M-H]- 308.096224 177.2
[M+NH4]+ 327.137323 187.6
[M+K]+ 348.066658 175.1
[M+H-H2O]+ 292.100760 165.0
[M+HCOO]- 354.101701 187.6
[M+CH3COO]- 368.117351 198.9
[M+Na-2H]- 330.078166 171.8
[M]+ 309.10295142 175.3
[M]- 309.10404858 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