CID 206539

28103-55-1

Structural Information

Molecular Formula
C18H18N2O4S
SMILES
CC1C(=O)N(C(=O)C1(C)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C18H18N2O4S/c1-12-16(21)20(14-8-10-15(11-9-14)25(19,23)24)17(22)18(12,2)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,19,23,24)
InChIKey
DQSGMTBXQFBBON-UHFFFAOYSA-N
Compound name
4-(3,4-dimethyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09872 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10600 181.7
[M+Na]+ 381.08794 193.1
[M+NH4]+ 376.13254 188.9
[M+K]+ 397.06188 186.0
[M-H]- 357.09144 185.1
[M+Na-2H]- 379.07339 189.5
[M]+ 358.09817 184.7
[M]- 358.09927 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.