CID 11145196

2h-1,3,5-thiadiazine-2-thione, 3,3'-(1,2-ethanediyl)bis[tetrahydro-5-(phenylmethyl)-

Structural Information

Molecular Formula
C22H26N4S4
SMILES
C1N(CSC(=S)N1CCN2CN(CSC2=S)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C22H26N4S4/c27-21-25(15-23(17-29-21)13-19-7-3-1-4-8-19)11-12-26-16-24(18-30-22(26)28)14-20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKey
FERFOIXXUKEDEG-UHFFFAOYSA-N
Compound name
5-benzyl-3-[2-(5-benzyl-2-sulfanylidene-1,3,5-thiadiazinan-3-yl)ethyl]-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.10403 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.11131 196.9
[M+Na]+ 497.09325 202.6
[M-H]- 473.09675 199.1
[M+NH4]+ 492.13785 200.2
[M+K]+ 513.06719 189.3
[M+H-H2O]+ 457.10129 188.6
[M+HCOO]- 519.10223 189.0
[M+CH3COO]- 533.11788 200.5
[M+Na-2H]- 495.07870 194.2
[M]+ 474.10348 188.7
[M]- 474.10458 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.