CID 3056996

N-butyltin tris(dibutyldithiocarbamate)

Structural Information

Molecular Formula
C31H63N3S6Sn
SMILES
CCCCN(CCCC)C(=S)S[Sn](CCCC)(SC(=S)N(CCCC)CCCC)SC(=S)N(CCCC)CCCC
InChI
InChI=1S/3C9H19NS2.C4H9.Sn/c3*1-3-5-7-10(9(11)12)8-6-4-2;1-3-4-2;/h3*3-8H2,1-2H3,(H,11,12);1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
MHUWNEDAGJMHEM-UHFFFAOYSA-K
Compound name
[butyl-bis(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

789.2368 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 790.24408 241.8
[M+Na]+ 812.22602 239.0
[M+NH4]+ 807.27062 244.5
[M+K]+ 828.19996 226.8
[M-H]- 788.22952 240.7
[M+Na-2H]- 810.21147 237.3
[M]+ 789.23625 242.8
[M]- 789.23735 242.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe