CID 59848055

3,3',5,5'-tetrakis(methoxymethyl)-[1,1'-biphenyl]-4,4'-diol

Structural Information

Molecular Formula
C20H26O6
SMILES
COCC1=CC(=CC(=C1O)COC)C2=CC(=C(C(=C2)COC)O)COC
InChI
InChI=1S/C20H26O6/c1-23-9-15-5-13(6-16(10-24-2)19(15)21)14-7-17(11-25-3)20(22)18(8-14)12-26-4/h5-8,21-22H,9-12H2,1-4H3
InChIKey
JHIUAEPQGMOWHS-UHFFFAOYSA-N
Compound name
4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

885
Patents

362.17294 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18022 185.1
[M+Na]+ 385.16216 192.7
[M-H]- 361.16566 189.7
[M+NH4]+ 380.20676 197.0
[M+K]+ 401.13610 190.1
[M+H-H2O]+ 345.17020 176.8
[M+HCOO]- 407.17114 205.3
[M+CH3COO]- 421.18679 214.8
[M+Na-2H]- 383.14761 185.0
[M]+ 362.17239 193.5
[M]- 362.17349 193.5
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

patents stripe