CID 95876

Tetraisopropylthiuram disulfide

Structural Information

Molecular Formula

C₁₄H₂₈N₂S₄

SMILES

CC(C)N(C(C)C)C(=S)SSC(=S)N(C(C)C)C(C)C

InChI

InChI=1S/C14H28N2S4/c1-9(2)15(10(3)4)13(17)19-20-14(18)16(11(5)6)12(7)8/h9-12H,1-8H3

InChIKey

ZUYREEAWHZRZDX-UHFFFAOYSA-N

Compound name

di(propan-2-yl)carbamothioylsulfanyl N,N-di(propan-2-yl)carbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 640
Patents: 352.11353 Da
Monoisotopic Mass: 4.9
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	175.6
[M+Na]+	375.10275	177.7
[M+NH4]+	370.14735	181.9
[M+K]+	391.07669	169.9
[M-H]-	351.10625	175.4
[M+Na-2H]-	373.08820	174.0
[M]+	352.11298	177.1
[M]-	352.11408	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe