CID 90737

Nsc 405812

Structural Information

Molecular Formula
C20H18N4O4S2
SMILES
C1=CC=C(C=C1)C2C(=O)N(C(=O)N2)SCCSC3C(=O)N(C(=O)N3)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4O4S2/c25-17-15(13-7-3-1-4-8-13)21-20(28)24(17)30-12-11-29-16-18(26)23(19(27)22-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,28)(H,22,27)
InChIKey
ZJMIWVBRILPJNG-UHFFFAOYSA-N
Compound name
3-[2-(2,5-dioxo-1-phenylimidazolidin-4-yl)sulfanylethylsulfanyl]-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.07693 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.08421 201.5
[M+Na]+ 465.06615 209.9
[M-H]- 441.06965 207.2
[M+NH4]+ 460.11075 208.6
[M+K]+ 481.04009 201.4
[M+H-H2O]+ 425.07419 194.4
[M+HCOO]- 487.07513 206.6
[M+CH3COO]- 501.09078 208.6
[M+Na-2H]- 463.05160 193.6
[M]+ 442.07638 201.3
[M]- 442.07748 201.3
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.