CID 135754334

Brn 1656405

Structural Information

Molecular Formula
C19H14O4S
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C(/C3=CC=CC=C3)\O)/C(=O)S2
InChI
InChI=1S/C19H14O4S/c1-23-14-9-7-12(8-10-14)11-15-18(21)16(19(22)24-15)17(20)13-5-3-2-4-6-13/h2-11,20H,1H3/b15-11-,17-16+
InChIKey
TXLNEIFWJVPCSD-DBRFYRBNSA-N
Compound name
(3E,5Z)-3-[hydroxy(phenyl)methylidene]-5-[(4-methoxyphenyl)methylidene]thiolane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.06128 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06856 178.6
[M+Na]+ 361.05050 190.8
[M+NH4]+ 356.09510 185.6
[M+K]+ 377.02444 183.7
[M-H]- 337.05400 182.7
[M+Na-2H]- 359.03595 184.8
[M]+ 338.06073 181.8
[M]- 338.06183 181.8
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.