CID 206538

28103-52-8

Structural Information

Molecular Formula
C20H22N2O4S
SMILES
CCCCC1(CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O4S/c1-2-3-13-20(15-7-5-4-6-8-15)14-18(23)22(19(20)24)16-9-11-17(12-10-16)27(21,25)26/h4-12H,2-3,13-14H2,1H3,(H2,21,25,26)
InChIKey
WTSOECJWAPLNCG-UHFFFAOYSA-N
Compound name
4-(3-butyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13004 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.137316 190.7
[M+Na]+ 409.119258 198.7
[M-H]- 385.122764 199.0
[M+NH4]+ 404.163863 204.6
[M+K]+ 425.093198 193.1
[M+H-H2O]+ 369.127300 183.1
[M+HCOO]- 431.128241 206.5
[M+CH3COO]- 445.143891 217.0
[M+Na-2H]- 407.104706 190.9
[M]+ 386.12949142 192.9
[M]- 386.13058858 192.9
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.