CID 978557

2-methoxy-4-[(e)-2-phenylethenyl]phenyl 3,4,5-trimethoxybenzoate

Structural Information

Molecular Formula
C25H24O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C25H24O6/c1-27-21-14-18(11-10-17-8-6-5-7-9-17)12-13-20(21)31-25(26)19-15-22(28-2)24(30-4)23(16-19)29-3/h5-16H,1-4H3/b11-10+
InChIKey
RRNKEAKOYVNWBQ-ZHACJKMWSA-N
Compound name
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1573 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 201.4
[M+Na]+ 443.14652 216.7
[M+NH4]+ 438.19112 207.2
[M+K]+ 459.12046 208.7
[M-H]- 419.15002 206.7
[M+Na-2H]- 441.13197 210.0
[M]+ 420.15675 205.2
[M]- 420.15785 205.2
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.