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 273.4
[M+Na]+ 812.22602 265.0
[M-H]- 788.22952 264.3
[M+NH4]+ 807.27062 298.0
[M+K]+ 828.19996 248.2
[M+H-H2O]+ 772.23406 259.5
[M+HCOO]- 834.23500 286.8
[M+CH3COO]- 848.25065 279.3
[M+Na-2H]- 810.21147 267.5
[M]+ 789.23625 268.7
[M]- 789.23735 268.7
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