CID 203434

Ethylenebisrhodanine

Structural Information

Molecular Formula
C8H8N2O2S4
SMILES
C1C(=O)N(C(=S)S1)CCN2C(=O)CSC2=S
InChI
InChI=1S/C8H8N2O2S4/c11-5-3-15-7(13)9(5)1-2-10-6(12)4-16-8(10)14/h1-4H2
InChIKey
MMOVOMSMFLJLDS-UHFFFAOYSA-N
Compound name
3-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

291.94687 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.95415 164.7
[M+Na]+ 314.93609 175.2
[M-H]- 290.93959 167.4
[M+NH4]+ 309.98069 181.5
[M+K]+ 330.91003 167.4
[M+H-H2O]+ 274.94413 161.1
[M+HCOO]- 336.94507 163.7
[M+CH3COO]- 350.96072 174.1
[M+Na-2H]- 312.92154 158.3
[M]+ 291.94632 162.3
[M]- 291.94742 162.3
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