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]+ 355.11763 181.2
[M+Na]+ 377.09957 190.0
[M-H]- 353.10307 187.3
[M+NH4]+ 372.14417 191.7
[M+K]+ 393.07351 185.7
[M+H-H2O]+ 337.10761 172.7
[M+HCOO]- 399.10855 199.6
[M+CH3COO]- 413.12420 208.3
[M+Na-2H]- 375.08502 181.9
[M]+ 354.10980 183.8
[M]- 354.11090 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.