CID 1202787

292640-28-9

Structural Information

Molecular Formula
C15H9NO4S2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C\3/C(=O)NC(=S)S3)C(=O)O
InChI
InChI=1S/C15H9NO4S2/c17-13-12(22-15(21)16-13)7-8-5-6-11(20-8)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)(H,16,17,21)/b12-7-
InChIKey
OTBNRWGTJUMXPA-GHXNOFRVSA-N
Compound name
2-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

330.9973 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.00458 174.2
[M+Na]+ 353.98652 184.0
[M+NH4]+ 349.03112 180.4
[M+K]+ 369.96046 179.2
[M-H]- 329.99002 177.6
[M+Na-2H]- 351.97197 177.0
[M]+ 330.99675 177.1
[M]- 330.99785 177.1
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