CID 3006227

4-thiazolidinone, 5-[(4',5'-dimethyl[2,2'-bifuran]-5-yl)methylene]-2-thioxo-

Structural Information

Molecular Formula
C14H11NO3S2
SMILES
CC1=C(OC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)S3)C
InChI
InChI=1S/C14H11NO3S2/c1-7-5-11(17-8(7)2)10-4-3-9(18-10)6-12-13(16)15-14(19)20-12/h3-6H,1-2H3,(H,15,16,19)
InChIKey
XCBSIWUTPWWQCU-UHFFFAOYSA-N
Compound name
5-[[5-(4,5-dimethylfuran-2-yl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.01804 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.02532 169.2
[M+Na]+ 328.00726 182.5
[M-H]- 304.01076 180.4
[M+NH4]+ 323.05186 187.1
[M+K]+ 343.98120 178.8
[M+H-H2O]+ 288.01530 167.0
[M+HCOO]- 350.01624 183.3
[M+CH3COO]- 364.03189 182.8
[M+Na-2H]- 325.99271 163.8
[M]+ 305.01749 174.9
[M]- 305.01859 174.9
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.