CID 110539

68555-54-4

Structural Information

Molecular Formula
C22H16N2O4S2
SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)SCCSC3=CC=CC=C3N4C(=O)C=CC4=O
InChI
InChI=1S/C22H16N2O4S2/c25-19-9-10-20(26)23(19)15-5-1-3-7-17(15)29-13-14-30-18-8-4-2-6-16(18)24-21(27)11-12-22(24)28/h1-12H,13-14H2
InChIKey
IMRULEJVIHQQKE-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylethylsulfanyl]phenyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

436.05515 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.06243 203.6
[M+Na]+ 459.04437 214.1
[M-H]- 435.04787 215.1
[M+NH4]+ 454.08897 215.2
[M+K]+ 475.01831 206.7
[M+H-H2O]+ 419.05241 196.4
[M+HCOO]- 481.05335 216.1
[M+CH3COO]- 495.06900 213.5
[M+Na-2H]- 457.02982 197.1
[M]+ 436.05460 209.2
[M]- 436.05570 209.2
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

patents stripe