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

457
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 194.4
[M+Na]+ 431.03082 205.2
[M-H]- 407.03432 206.9
[M+NH4]+ 426.07542 206.1
[M+K]+ 447.00476 200.1
[M+H-H2O]+ 391.03886 186.9
[M+HCOO]- 453.03980 211.4
[M+CH3COO]- 467.05545 217.5
[M+Na-2H]- 429.01627 191.7
[M]+ 408.04105 198.9
[M]- 408.04215 198.9
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