CID 487100

1-[4-(4-aminophenyl)sulfonylphenyl]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H14N2O4S/c17-11-1-5-13(6-2-11)23(21,22)14-7-3-12(4-8-14)18-15(19)9-10-16(18)20/h1-8H,9-10,17H2
InChIKey
VFOVTCODQJZNMT-UHFFFAOYSA-N
Compound name
1-[4-(4-aminophenyl)sulfonylphenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.0674 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07468 174.8
[M+Na]+ 353.05662 183.7
[M-H]- 329.06012 183.7
[M+NH4]+ 348.10122 188.9
[M+K]+ 369.03056 178.5
[M+H-H2O]+ 313.06466 167.3
[M+HCOO]- 375.06560 191.9
[M+CH3COO]- 389.08125 205.7
[M+Na-2H]- 351.04207 175.1
[M]+ 330.06685 175.2
[M]- 330.06795 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.