CID 3032622

N,n'-difurfuryldithiooxamide

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S₂

SMILES

C1=COC(=C1)CNC(=S)C(=S)NCC2=CC=CO2

InChI

InChI=1S/C12H12N2O2S2/c17-11(13-7-9-3-1-5-15-9)12(18)14-8-10-4-2-6-16-10/h1-6H,7-8H2,(H,13,17)(H,14,18)

InChIKey

LRJJVKVWPILGGK-UHFFFAOYSA-N

Compound name

N,N'-bis(furan-2-ylmethyl)ethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 280.03403 Da
Monoisotopic Mass: 1.6
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]+	281.041306	165.7
[M+Na]+	303.023248	173.9
[M-H]-	279.026754	174.4
[M+NH4]+	298.067853	182.9
[M+K]+	318.997188	171.2
[M+H-H2O]+	263.031290	160.1
[M+HCOO]-	325.032231	182.3
[M+CH3COO]-	339.047881	196.4
[M+Na-2H]-	301.008696	166.1
[M]+	280.03348142	170.0
[M]-	280.03457858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe