CID 206535

28103-46-0

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O4S/c17-23(21,22)13-8-6-12(7-9-13)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,17,21,22)
InChIKey
QHKLEMHDWCRNBK-UHFFFAOYSA-N
Compound name
4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0674 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.074676 174.8
[M+Na]+ 353.056618 183.7
[M-H]- 329.060124 183.7
[M+NH4]+ 348.101223 188.9
[M+K]+ 369.030558 178.5
[M+H-H2O]+ 313.064660 167.3
[M+HCOO]- 375.065601 191.9
[M+CH3COO]- 389.081251 205.7
[M+Na-2H]- 351.042066 175.1
[M]+ 330.06685142 175.2
[M]- 330.06794858 175.2
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.