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]+ 421.164576 201.1
[M+Na]+ 443.146518 208.1
[M-H]- 419.150024 211.0
[M+NH4]+ 438.191123 210.9
[M+K]+ 459.120458 205.0
[M+H-H2O]+ 403.154560 190.3
[M+HCOO]- 465.155501 223.3
[M+CH3COO]- 479.171151 227.1
[M+Na-2H]- 441.131966 201.1
[M]+ 420.15675142 209.3
[M]- 420.15784858 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.