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 196.3
[M+Na]+ 433.07635 205.7
[M-H]- 409.07985 202.2
[M+NH4]+ 428.12095 205.2
[M+K]+ 449.05029 195.8
[M+H-H2O]+ 393.08439 189.3
[M+HCOO]- 455.08533 201.1
[M+CH3COO]- 469.10098 203.9
[M+Na-2H]- 431.06180 187.5
[M]+ 410.08658 193.7
[M]- 410.08768 193.7
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.