CID 90740

22139-83-9

Structural Information

Molecular Formula
C21H20N4O4S2
SMILES
C1=CC=C(C=C1)N2C(=O)C(NC2=O)CSCSCC3C(=O)N(C(=O)N3)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4O4S2/c26-18-16(22-20(28)24(18)14-7-3-1-4-8-14)11-30-13-31-12-17-19(27)25(21(29)23-17)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,22,28)(H,23,29)
InChIKey
ZQJJEJDWFORDKH-UHFFFAOYSA-N
Compound name
5-[(2,5-dioxo-1-phenylimidazolidin-4-yl)methylsulfanylmethylsulfanylmethyl]-3-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.0926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.09988 205.4
[M+Na]+ 479.08182 215.4
[M+NH4]+ 474.12642 209.6
[M+K]+ 495.05576 209.5
[M-H]- 455.08532 208.0
[M+Na-2H]- 477.06727 208.7
[M]+ 456.09205 208.0
[M]- 456.09315 208.0
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.