CID 693029

329219-52-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1205 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.127776 178.5
[M+Na]+ 357.109718 185.7
[M-H]- 333.113224 188.4
[M+NH4]+ 352.154323 191.6
[M+K]+ 373.083658 182.2
[M+H-H2O]+ 317.117760 168.7
[M+HCOO]- 379.118701 201.6
[M+CH3COO]- 393.134351 210.0
[M+Na-2H]- 355.095166 181.8
[M]+ 334.11995142 182.5
[M]- 334.12104858 182.5
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

No patent data available for this compound.