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]+ 347.112536 175.0
[M+Na]+ 369.094478 183.8
[M-H]- 345.097984 182.6
[M+NH4]+ 364.139083 188.5
[M+K]+ 385.068418 183.2
[M+H-H2O]+ 329.102520 166.4
[M+HCOO]- 391.103461 198.7
[M+CH3COO]- 405.119111 213.3
[M+Na-2H]- 367.079926 176.7
[M]+ 346.10471142 185.4
[M]- 346.10580858 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.