CID 11143973

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

Structural Information

Molecular Formula
C16H30N4S4
SMILES
CCCCN1CN(C(=S)SC1)CCN2CN(CSC2=S)CCCC
InChI
InChI=1S/C16H30N4S4/c1-3-5-7-17-11-19(15(21)23-13-17)9-10-20-12-18(8-6-4-2)14-24-16(20)22/h3-14H2,1-2H3
InChIKey
FVGAUKHYVKNBBF-UHFFFAOYSA-N
Compound name
5-butyl-3-[2-(5-butyl-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

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14263 182.6
[M+Na]+ 429.12457 186.8
[M-H]- 405.12807 179.3
[M+NH4]+ 424.16917 189.0
[M+K]+ 445.09851 175.7
[M+H-H2O]+ 389.13261 175.4
[M+HCOO]- 451.13355 172.3
[M+CH3COO]- 465.14920 221.3
[M+Na-2H]- 427.11002 176.5
[M]+ 406.13480 176.8
[M]- 406.13590 176.8
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.