CID 3056897

1,4-phenylenebis(5-methylenerhodanine)

Structural Information

Molecular Formula
C14H8N2O2S4
SMILES
C=C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)N3C(=O)C(=C)SC3=S
InChI
InChI=1S/C14H8N2O2S4/c1-7-11(17)15(13(19)21-7)9-3-5-10(6-4-9)16-12(18)8(2)22-14(16)20/h3-6H,1-2H2
InChIKey
WFYHZPIGARCLRV-UHFFFAOYSA-N
Compound name
5-methylidene-3-[4-(5-methylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.94687 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.95415 184.0
[M+Na]+ 386.93609 196.1
[M-H]- 362.93959 190.0
[M+NH4]+ 381.98069 198.4
[M+K]+ 402.91003 185.3
[M+H-H2O]+ 346.94413 180.6
[M+HCOO]- 408.94507 183.2
[M+CH3COO]- 422.96072 192.9
[M+Na-2H]- 384.92154 176.2
[M]+ 363.94632 181.4
[M]- 363.94742 181.4
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

No patent data available for this compound.