CID 308301

Nsc209082

Structural Information

Molecular Formula
C29H26N2S2
SMILES
C1N(CSC(=S)N1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H26N2S2/c32-29-31(28(25-17-9-3-10-18-25)26-19-11-4-12-20-26)21-30(22-33-29)27(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2
InChIKey
ZSDHLCFBFGFLGL-UHFFFAOYSA-N
Compound name
3,5-dibenzhydryl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.15375 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.16103 206.3
[M+Na]+ 489.14297 210.0
[M-H]- 465.14647 216.2
[M+NH4]+ 484.18757 210.9
[M+K]+ 505.11691 199.9
[M+H-H2O]+ 449.15101 194.7
[M+HCOO]- 511.15195 211.3
[M+CH3COO]- 525.16760 211.9
[M+Na-2H]- 487.12842 204.7
[M]+ 466.15320 201.2
[M]- 466.15430 201.2
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.