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

4
Patents

280.03403 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04131 163.2
[M+Na]+ 303.02325 171.7
[M+NH4]+ 298.06785 170.8
[M+K]+ 318.99719 166.6
[M-H]- 279.02675 169.0
[M+Na-2H]- 301.00870 167.2
[M]+ 280.03348 166.7
[M]- 280.03458 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe