CID 53395127

Schembl17534875

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=CC(=C1)C=CC2=CC(=C(C=C2)O)O)OC
InChI
InChI=1S/C16H16O4/c1-19-13-7-12(8-14(10-13)20-2)4-3-11-5-6-15(17)16(18)9-11/h3-10,17-18H,1-2H3
InChIKey
UQRBFXIUUDJHSN-UHFFFAOYSA-N
Compound name
4-[2-(3,5-dimethoxyphenyl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

272.10486 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.112136 160.7
[M+Na]+ 295.094078 169.3
[M-H]- 271.097584 165.5
[M+NH4]+ 290.138683 176.1
[M+K]+ 311.068018 165.2
[M+H-H2O]+ 255.102120 153.6
[M+HCOO]- 317.103061 182.4
[M+CH3COO]- 331.118711 194.5
[M+Na-2H]- 293.079526 164.0
[M]+ 272.10431142 163.4
[M]- 272.10540858 163.4
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