CID 1274189

307525-13-9

Structural Information

Molecular Formula
C18H15NO3S2
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC=C3OC
InChI
InChI=1S/C18H15NO3S2/c1-21-13-9-7-12(8-10-13)11-16-17(20)19(18(23)24-16)14-5-3-4-6-15(14)22-2/h3-11H,1-2H3/b16-11-
InChIKey
IIOKSQSKRJPHAH-WJDWOHSUSA-N
Compound name
(5Z)-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.04935 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.056626 181.5
[M+Na]+ 380.038568 191.4
[M-H]- 356.042074 190.4
[M+NH4]+ 375.083173 196.0
[M+K]+ 396.012508 184.4
[M+H-H2O]+ 340.046610 174.4
[M+HCOO]- 402.047551 193.6
[M+CH3COO]- 416.063201 209.9
[M+Na-2H]- 378.024016 177.8
[M]+ 357.04880142 185.5
[M]- 357.04989858 185.5
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.