CID 110540

68555-55-5

Structural Information

Molecular Formula
C20H12N2O6S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C=CC3=O)N4C(=O)C=CC4=O
InChI
InChI=1S/C20H12N2O6S/c23-17-7-8-18(24)21(17)13-3-1-5-15(11-13)29(27,28)16-6-2-4-14(12-16)22-19(25)9-10-20(22)26/h1-12H
InChIKey
RNSJLHIBGRARKK-UHFFFAOYSA-N
Compound name
1-[3-[3-(2,5-dioxopyrrol-1-yl)phenyl]sulfonylphenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

408.0416 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04888 193.2
[M+Na]+ 431.03082 205.7
[M+NH4]+ 426.07542 197.7
[M+K]+ 447.00476 202.6
[M-H]- 407.03432 196.5
[M+Na-2H]- 429.01627 200.0
[M]+ 408.04105 196.1
[M]- 408.04215 196.1
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

patents stripe