CID 13314564

Ns00087385

Structural Information

Molecular Formula

C₅₁H₁₀₂N₃S₆Sb

SMILES

CCCCC(CC)CN(CC(CC)CCCC)C(=S)S[Sb](SC(=S)N(CC(CC)CCCC)CC(CC)CCCC)SC(=S)N(CC(CC)CCCC)CC(CC)CCCC

InChI

InChI=1S/3C17H35NS2.Sb/c3*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;+3/p-3

InChIKey

FPLFMZZKSXPSQO-UHFFFAOYSA-K

Compound name

bis[bis(2-ethylhexyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-ethylhexyl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 1069.5436 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1070.550876	348.6
[M+Na]+	1092.532818	351.1
[M-H]-	1068.536324	332.7
[M+NH4]+	1087.577423	359.4
[M+K]+	1108.506758	365.6
[M+H-H2O]+	1052.540860	350.4
[M+HCOO]-	1114.541801	322.6
[M+CH3COO]-	1128.557451	319.9
[M+Na-2H]-	1090.518266	331.7
[M]+	1069.54305142	350.4
[M]-	1069.54414858	350.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.