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 201.1
[M+Na]+ 443.14652 208.1
[M-H]- 419.15002 211.0
[M+NH4]+ 438.19112 210.9
[M+K]+ 459.12046 205.0
[M+H-H2O]+ 403.15456 190.3
[M+HCOO]- 465.15550 223.3
[M+CH3COO]- 479.17115 227.1
[M+Na-2H]- 441.13197 201.1
[M]+ 420.15675 209.3
[M]- 420.15785 209.3
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.