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 165.7
[M+Na]+ 303.02325 173.9
[M-H]- 279.02675 174.4
[M+NH4]+ 298.06785 182.9
[M+K]+ 318.99719 171.2
[M+H-H2O]+ 263.03129 160.1
[M+HCOO]- 325.03223 182.3
[M+CH3COO]- 339.04788 196.4
[M+Na-2H]- 301.00870 166.1
[M]+ 280.03348 170.0
[M]- 280.03458 170.0
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