CID 191796

3-hydroxyterphenyllin

Structural Information

Molecular Formula
C20H18O6
SMILES
COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C20H18O6/c1-25-17-10-14(11-3-6-13(21)7-4-11)20(26-2)19(24)18(17)12-5-8-15(22)16(23)9-12/h3-10,21-24H,1-2H3
InChIKey
YLSPFNUVVOKJDF-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

354.11035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.117626 181.2
[M+Na]+ 377.099568 190.0
[M-H]- 353.103074 187.3
[M+NH4]+ 372.144173 191.7
[M+K]+ 393.073508 185.7
[M+H-H2O]+ 337.107610 172.7
[M+HCOO]- 399.108551 199.6
[M+CH3COO]- 413.124201 208.3
[M+Na-2H]- 375.085016 181.9
[M]+ 354.10980142 183.8
[M]- 354.11089858 183.8
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