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]+ 457.099876 205.1
[M+Na]+ 479.081818 213.0
[M-H]- 455.085324 210.6
[M+NH4]+ 474.126423 211.7
[M+K]+ 495.055758 204.3
[M+H-H2O]+ 439.089860 197.8
[M+HCOO]- 501.090801 209.9
[M+CH3COO]- 515.106451 211.8
[M+Na-2H]- 477.067266 196.8
[M]+ 456.09205142 205.2
[M]- 456.09314858 205.2
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

No patent data available for this compound.