CID 3034587

73855-62-6

Structural Information

Molecular Formula
C14H15NO4S2
SMILES
C/C(=C/1\C(=O)NC(=S)S1)/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C14H15NO4S2/c1-7(12-13(16)15-14(20)21-12)8-5-9(17-2)11(19-4)10(6-8)18-3/h5-6H,1-4H3,(H,15,16,20)/b12-7-
InChIKey
VUCTYMMRFTUOOG-GHXNOFRVSA-N
Compound name
(5Z)-2-sulfanylidene-5-[1-(3,4,5-trimethoxyphenyl)ethylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.04425 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05153 171.2
[M+Na]+ 348.03347 179.8
[M-H]- 324.03697 175.5
[M+NH4]+ 343.07807 186.3
[M+K]+ 364.00741 174.3
[M+H-H2O]+ 308.04151 165.5
[M+HCOO]- 370.04245 180.3
[M+CH3COO]- 384.05810 202.8
[M+Na-2H]- 346.01892 166.1
[M]+ 325.04370 175.2
[M]- 325.04480 175.2
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.