CID 6450623

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

Structural Information

Molecular Formula
C17H23NO4S
SMILES
CCCCCOC1CCC(=O)N1S(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H23NO4S/c1-2-3-7-13-22-17-11-10-16(19)18(17)23(20,21)14-12-15-8-5-4-6-9-15/h4-6,8-9,12,14,17H,2-3,7,10-11,13H2,1H3/b14-12+
InChIKey
XYPQOINYDUCKGS-WYMLVPIESA-N
Compound name
5-pentoxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.13477 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14205 180.6
[M+Na]+ 360.12399 187.0
[M-H]- 336.12749 185.5
[M+NH4]+ 355.16859 195.2
[M+K]+ 376.09793 182.5
[M+H-H2O]+ 320.13203 173.3
[M+HCOO]- 382.13297 195.6
[M+CH3COO]- 396.14862 204.9
[M+Na-2H]- 358.10944 179.5
[M]+ 337.13422 184.7
[M]- 337.13532 184.7
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

No patent data available for this compound.