CID 3038009

Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-diphenyl-2-thio-

Structural Information

Molecular Formula
C36H34N6O2S2
SMILES
C1CN(CCN1CN2C(=O)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4)CN5C(=O)C(NC5=S)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C36H34N6O2S2/c43-31-35(27-13-5-1-6-14-27,28-15-7-2-8-16-28)37-33(45)41(31)25-39-21-23-40(24-22-39)26-42-32(44)36(38-34(42)46,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20H,21-26H2,(H,37,45)(H,38,46)
InChIKey
OGCMULPYULROSO-UHFFFAOYSA-N
Compound name
3-[[4-[(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]-5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.21844 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.22572 242.8
[M+Na]+ 669.20766 248.6
[M-H]- 645.21116 252.7
[M+NH4]+ 664.25226 241.6
[M+K]+ 685.18160 237.2
[M+H-H2O]+ 629.21570 231.1
[M+HCOO]- 691.21664 240.7
[M+CH3COO]- 705.23229 244.8
[M+Na-2H]- 667.19311 234.3
[M]+ 646.21789 236.0
[M]- 646.21899 236.0
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.