CID 17368

Tetrapropylthiuram disulphide

Structural Information

Molecular Formula

C₁₄H₂₈N₂S₄

SMILES

CCCN(CCC)C(=S)SSC(=S)N(CCC)CCC

InChI

InChI=1S/C14H28N2S4/c1-5-9-15(10-6-2)13(17)19-20-14(18)16(11-7-3)12-8-4/h5-12H2,1-4H3

InChIKey

ICEXLMACENYGPP-UHFFFAOYSA-N

Compound name

dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 374
Patents: 352.11353 Da
Monoisotopic Mass: 6.0
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]+	353.12081	175.5
[M+Na]+	375.10275	179.2
[M+NH4]+	370.14735	182.4
[M+K]+	391.07669	168.2
[M-H]-	351.10625	176.3
[M+Na-2H]-	373.08820	174.5
[M]+	352.11298	177.7
[M]-	352.11408	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe