CID 206536

28103-49-3

Structural Information

Molecular Formula
C21H24N2O4S
SMILES
CCCCC1C(=O)N(C(=O)C1(C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C21H24N2O4S/c1-3-4-10-18-19(24)23(16-11-13-17(14-12-16)28(22,26)27)20(25)21(18,2)15-8-6-5-7-9-15/h5-9,11-14,18H,3-4,10H2,1-2H3,(H2,22,26,27)
InChIKey
IOAHQDLDOXOCAD-UHFFFAOYSA-N
Compound name
4-(4-butyl-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1457 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15298 194.3
[M+Na]+ 423.13492 205.1
[M+NH4]+ 418.17952 201.0
[M+K]+ 439.10886 197.4
[M-H]- 399.13842 197.6
[M+Na-2H]- 421.12037 201.4
[M]+ 400.14515 197.2
[M]- 400.14625 197.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.