CID 6447938

107788-12-5

Structural Information

Molecular Formula
C20H20O4S
SMILES
CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C/3\CCOC3=O
InChI
InChI=1S/C20H20O4S/c1-2-23-18-12-14(10-15-8-9-24-20(15)22)11-16(19(18)21)13-25-17-6-4-3-5-7-17/h3-7,10-12,21H,2,8-9,13H2,1H3/b15-10+
InChIKey
PTLUDKAYBMPHQI-XNTDXEJSSA-N
Compound name
(3E)-3-[[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]methylidene]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10822 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11550 183.9
[M+Na]+ 379.09744 196.7
[M+NH4]+ 374.14204 191.4
[M+K]+ 395.07138 189.0
[M-H]- 355.10094 190.0
[M+Na-2H]- 377.08289 189.9
[M]+ 356.10767 187.9
[M]- 356.10877 187.9
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.