CID 11079397

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

Structural Information

Molecular Formula
C14H26N4S4
SMILES
CC(C)N1CN(C(=S)SC1)CCN2CN(CSC2=S)C(C)C
InChI
InChI=1S/C14H26N4S4/c1-11(2)17-7-15(13(19)21-9-17)5-6-16-8-18(12(3)4)10-22-14(16)20/h11-12H,5-10H2,1-4H3
InChIKey
CSKKGHSPYAMCOK-UHFFFAOYSA-N
Compound name
5-propan-2-yl-3-[2-(5-propan-2-yl-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

378.10403 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11131 175.4
[M+Na]+ 401.09325 179.5
[M-H]- 377.09675 172.5
[M+NH4]+ 396.13785 182.5
[M+K]+ 417.06719 169.9
[M+H-H2O]+ 361.10129 168.9
[M+HCOO]- 423.10223 163.4
[M+CH3COO]- 437.11788 217.6
[M+Na-2H]- 399.07870 168.9
[M]+ 378.10348 168.2
[M]- 378.10458 168.2
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.