CID 3038251

5,5'-(thiodimethylene)bis(3-phenyl-2-thiohydantoin)

Structural Information

Molecular Formula
C20H18N4O2S3
SMILES
C1=CC=C(C=C1)N2C(=O)C(NC2=S)CSCC3C(=O)N(C(=S)N3)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4O2S3/c25-17-15(21-19(27)23(17)13-7-3-1-4-8-13)11-29-12-16-18(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
ZNMBIJKNRASXKV-UHFFFAOYSA-N
Compound name
5-[(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)methylsulfanylmethyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.0592 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.06648 199.2
[M+Na]+ 465.04842 209.0
[M-H]- 441.05192 204.1
[M+NH4]+ 460.09302 207.1
[M+K]+ 481.02236 197.9
[M+H-H2O]+ 425.05646 193.8
[M+HCOO]- 487.05740 199.2
[M+CH3COO]- 501.07305 205.9
[M+Na-2H]- 463.03387 190.8
[M]+ 442.05865 196.5
[M]- 442.05975 196.5
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.