CID 1352542

(5z)-5-(2,5-dimethoxybenzylidene)-3-(2-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C19H17NO4S2
SMILES
COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC=C3OC
InChI
InChI=1S/C19H17NO4S2/c1-22-13-8-9-15(23-2)12(10-13)11-17-18(21)20(19(25)26-17)14-6-4-5-7-16(14)24-3/h4-11H,1-3H3/b17-11-
InChIKey
BMHSNUZXRJJCRZ-BOPFTXTBSA-N
Compound name
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0599 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06718 188.7
[M+Na]+ 410.04912 198.4
[M-H]- 386.05262 197.6
[M+NH4]+ 405.09372 202.0
[M+K]+ 426.02306 191.8
[M+H-H2O]+ 370.05716 181.4
[M+HCOO]- 432.05810 200.5
[M+CH3COO]- 446.07375 216.1
[M+Na-2H]- 408.03457 184.2
[M]+ 387.05935 194.6
[M]- 387.06045 194.6
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.