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]+ 387.13732 190.7
[M+Na]+ 409.11926 198.7
[M-H]- 385.12276 199.0
[M+NH4]+ 404.16386 204.6
[M+K]+ 425.09320 193.1
[M+H-H2O]+ 369.12730 183.1
[M+HCOO]- 431.12824 206.5
[M+CH3COO]- 445.14389 217.0
[M+Na-2H]- 407.10471 190.9
[M]+ 386.12949 192.9
[M]- 386.13059 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.