CID 82496

10254-57-6

Structural Information

Molecular Formula

C₁₉H₃₈N₂S₄

SMILES

CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC

InChI

InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3

InChIKey

LMODBLQHQHXPEI-UHFFFAOYSA-N

Compound name

dibutylcarbamothioylsulfanylmethyl N,N-dibutylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2034
Patents: 422.19177 Da
Monoisotopic Mass: 7.4
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]+	423.19905	192.0
[M+Na]+	445.18099	194.7
[M+NH4]+	440.22559	198.1
[M+K]+	461.15493	182.9
[M-H]-	421.18449	192.5
[M+Na-2H]-	443.16644	190.3
[M]+	422.19122	193.9
[M]-	422.19232	193.9

Literature stripe

literature stripe

Patent stripe

patents stripe