CID 5354004

24144-92-1

Structural Information

Molecular Formula
C18H20O4
SMILES
COC1=CC(=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)OC
InChI
InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
InChIKey
JDBCWSHYEQUBLW-AATRIKPKSA-N
Compound name
1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

88
Patents

300.13617 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 170.0
[M+Na]+ 323.12539 184.8
[M+NH4]+ 318.16999 177.4
[M+K]+ 339.09933 176.9
[M-H]- 299.12889 174.0
[M+Na-2H]- 321.11084 177.9
[M]+ 300.13562 173.3
[M]- 300.13672 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe