CID 4438894

(1,1'-biphenyl)-4-yl 3,5-dimethoxybenzoate

Structural Information

Molecular Formula
C21H18O4
SMILES
COC1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C21H18O4/c1-23-19-12-17(13-20(14-19)24-2)21(22)25-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKey
JKHAFYXKXBSAOE-UHFFFAOYSA-N
Compound name
(4-phenylphenyl) 3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1205 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12778 178.7
[M+Na]+ 357.10972 195.2
[M+NH4]+ 352.15432 186.8
[M+K]+ 373.08366 186.6
[M-H]- 333.11322 185.3
[M+Na-2H]- 355.09517 189.9
[M]+ 334.11995 183.2
[M]- 334.12105 183.2
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.