CID 1011111

[1,1'-biphenyl]-4-yl 3,4,5-trimethoxybenzoate

Structural Information

Molecular Formula
C22H20O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H20O5/c1-24-19-13-17(14-20(25-2)21(19)26-3)22(23)27-18-11-9-16(10-12-18)15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKey
GCFGWXBMCBZLHL-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.13107 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 185.9
[M+Na]+ 387.12029 193.2
[M-H]- 363.12379 195.9
[M+NH4]+ 382.16489 197.9
[M+K]+ 403.09423 190.4
[M+H-H2O]+ 347.12833 175.7
[M+HCOO]- 409.12927 208.8
[M+CH3COO]- 423.14492 216.3
[M+Na-2H]- 385.10574 188.0
[M]+ 364.13052 192.0
[M]- 364.13162 192.0
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.