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]+ 358.05663 181.5
[M+Na]+ 380.03857 191.4
[M-H]- 356.04207 190.4
[M+NH4]+ 375.08317 196.0
[M+K]+ 396.01251 184.4
[M+H-H2O]+ 340.04661 174.4
[M+HCOO]- 402.04755 193.6
[M+CH3COO]- 416.06320 209.9
[M+Na-2H]- 378.02402 177.8
[M]+ 357.04880 185.5
[M]- 357.04990 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.