CID 6450619

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

Structural Information

Molecular Formula
C15H19NO4S
SMILES
CC(C)OC1CCC(=O)N1S(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H19NO4S/c1-12(2)20-15-9-8-14(17)16(15)21(18,19)11-10-13-6-4-3-5-7-13/h3-7,10-12,15H,8-9H2,1-2H3/b11-10+
InChIKey
XNSAJUNQAHRZLI-ZHACJKMWSA-N
Compound name
1-[(E)-2-phenylethenyl]sulfonyl-5-propan-2-yloxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.1035 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11078 171.5
[M+Na]+ 332.09272 178.5
[M-H]- 308.09622 176.9
[M+NH4]+ 327.13732 187.2
[M+K]+ 348.06666 175.0
[M+H-H2O]+ 292.10076 164.9
[M+HCOO]- 354.10170 186.2
[M+CH3COO]- 368.11735 199.8
[M+Na-2H]- 330.07817 170.5
[M]+ 309.10295 174.4
[M]- 309.10405 174.4
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