CID 11783089

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

Structural Information

Molecular Formula
C12H22N4S4
SMILES
CCN1CN(C(=S)SC1)CCN2CN(CSC2=S)CC
InChI
InChI=1S/C12H22N4S4/c1-3-13-7-15(11(17)19-9-13)5-6-16-8-14(4-2)10-20-12(16)18/h3-10H2,1-2H3
InChIKey
UAFHEDANPVVVIC-UHFFFAOYSA-N
Compound name
5-ethyl-3-[2-(5-ethyl-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

350.07272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08000 170.0
[M+Na]+ 373.06194 175.9
[M-H]- 349.06544 167.5
[M+NH4]+ 368.10654 178.4
[M+K]+ 389.03588 165.6
[M+H-H2O]+ 333.06998 163.5
[M+HCOO]- 395.07092 160.8
[M+CH3COO]- 409.08657 175.3
[M+Na-2H]- 371.04739 165.0
[M]+ 350.07217 163.0
[M]- 350.07327 163.0
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.