CID 2824676

N,n'-dicyclohexyldithiooxamide

Structural Information

Molecular Formula

C₁₄H₂₄N₂S₂

SMILES

C1CCC(CC1)NC(=S)C(=S)NC2CCCCC2

InChI

InChI=1S/C14H24N2S2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)

InChIKey

TVTXGOPUBNYSCO-UHFFFAOYSA-N

Compound name

N,N'-dicyclohexylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 36
Patents: 284.1381 Da
Monoisotopic Mass: 4.1
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]+	285.14538	160.6
[M+Na]+	307.12732	166.4
[M+NH4]+	302.17192	169.5
[M+K]+	323.10126	156.9
[M-H]-	283.13082	165.1
[M+Na-2H]-	305.11277	164.7
[M]+	284.13755	163.2
[M]-	284.13865	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe