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 171.8
[M+Na]+ 332.09272 181.0
[M+NH4]+ 327.13732 177.5
[M+K]+ 348.06666 176.2
[M-H]- 308.09622 172.0
[M+Na-2H]- 330.07817 175.2
[M]+ 309.10295 173.3
[M]- 309.10405 173.3
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