CID 736552

4-formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=O)OC
InChI
InChI=1S/C18H18O7/c1-21-14-7-11(10-19)5-6-13(14)25-18(20)12-8-15(22-2)17(24-4)16(9-12)23-3/h5-10H,1-4H3
InChIKey
HVTQNCJLDBFXOU-UHFFFAOYSA-N
Compound name
(4-formyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 175.0
[M+Na]+ 369.09448 183.8
[M-H]- 345.09798 182.6
[M+NH4]+ 364.13908 188.5
[M+K]+ 385.06842 183.2
[M+H-H2O]+ 329.10252 166.4
[M+HCOO]- 391.10346 198.7
[M+CH3COO]- 405.11911 213.3
[M+Na-2H]- 367.07993 176.7
[M]+ 346.10471 185.4
[M]- 346.10581 185.4
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.