CID 3050818

Dibutyldithiocarbamic acid s-tributylstannyl ester

Structural Information

Molecular Formula
C21H45NS2Sn
SMILES
CCCCN(CCCC)C(=S)S[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C9H19NS2.3C4H9.Sn/c1-3-5-7-10(9(11)12)8-6-4-2;3*1-3-4-2;/h3-8H2,1-2H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
NJHPQIDQPWDVKE-UHFFFAOYSA-M
Compound name
tributylstannyl N,N-dibutylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

495.20154 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.20882 220.8
[M+Na]+ 518.19076 219.9
[M-H]- 494.19426 218.4
[M+NH4]+ 513.23536 232.5
[M+K]+ 534.16470 213.9
[M+H-H2O]+ 478.19880 211.4
[M+HCOO]- 540.19974 225.8
[M+CH3COO]- 554.21539 233.7
[M+Na-2H]- 516.17621 212.0
[M]+ 495.20099 228.9
[M]- 495.20209 228.9
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