CID 217742

39557-39-6

Structural Information

Molecular Formula
C20H12N2O4S2
SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)SSC3=CC=C(C=C3)N4C(=O)C=CC4=O
InChI
InChI=1S/C20H12N2O4S2/c23-17-9-10-18(24)21(17)13-1-5-15(6-2-13)27-28-16-7-3-14(4-8-16)22-19(25)11-12-20(22)26/h1-12H
InChIKey
MPLHZTWRCINWPX-UHFFFAOYSA-N
Compound name
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

393
Patents

408.02383 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.03111 195.7
[M+Na]+ 431.01305 207.1
[M-H]- 407.01655 207.6
[M+NH4]+ 426.05765 208.4
[M+K]+ 446.98699 200.1
[M+H-H2O]+ 391.02109 188.9
[M+HCOO]- 453.02203 208.9
[M+CH3COO]- 467.03768 206.5
[M+Na-2H]- 428.99850 190.0
[M]+ 408.02328 200.7
[M]- 408.02438 200.7
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

patents stripe