CID 3038282

24631-45-6

Structural Information

Molecular Formula
C20H18N4O2S2
SMILES
C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCC3C(=O)N(C(=S)N3)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4O2S2/c25-17-15(21-19(27)23(17)13-7-3-1-4-8-13)11-12-16-18(26)24(20(28)22-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,27)(H,22,28)
InChIKey
BOMRPAXXRLTWIR-UHFFFAOYSA-N
Compound name
5-[2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.08713 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09441 195.3
[M+Na]+ 433.07635 206.5
[M+NH4]+ 428.12095 200.8
[M+K]+ 449.05029 199.7
[M-H]- 409.07985 198.8
[M+Na-2H]- 431.06180 199.4
[M]+ 410.08658 198.4
[M]- 410.08768 198.4
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.