CID 15955911

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

Structural Information

Molecular Formula
C16H30N4S4
SMILES
CCC(C)N1CN(C(=S)SC1)CCN2CN(CSC2=S)C(C)CC
InChI
InChI=1S/C16H30N4S4/c1-5-13(3)19-9-17(15(21)23-11-19)7-8-18-10-20(14(4)6-2)12-24-16(18)22/h13-14H,5-12H2,1-4H3
InChIKey
IGLSPUVCJJGPMU-UHFFFAOYSA-N
Compound name
5-butan-2-yl-3-[2-(5-butan-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

406.13535 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14263 181.8
[M+Na]+ 429.12457 185.1
[M-H]- 405.12807 178.6
[M+NH4]+ 424.16917 187.9
[M+K]+ 445.09851 175.0
[M+H-H2O]+ 389.13261 175.0
[M+HCOO]- 451.13355 169.3
[M+CH3COO]- 465.14920 222.8
[M+Na-2H]- 427.11002 174.7
[M]+ 406.13480 175.2
[M]- 406.13590 175.2
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.