CID 3038243

Brn 0738325

Structural Information

Molecular Formula
C36H34N6S4
SMILES
C1CN(CCN1CN2C(=S)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4)CN5C(=S)C(NC5=S)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C36H34N6S4/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
AKTNXIRDLGSALP-UHFFFAOYSA-N
Compound name
3-[[4-[[4,4-diphenyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]methyl]piperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.1728 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.18008 234.6
[M+Na]+ 701.16202 243.1
[M-H]- 677.16552 241.7
[M+NH4]+ 696.20662 234.3
[M+K]+ 717.13596 228.9
[M+H-H2O]+ 661.17006 228.6
[M+HCOO]- 723.17100 225.5
[M+CH3COO]- 737.18665 236.3
[M+Na-2H]- 699.14747 229.8
[M]+ 678.17225 225.8
[M]- 678.17335 225.8
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.