CID 2344563

4-formyl-2-methoxyphenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC)OC
InChI
InChI=1S/C17H16O6/c1-20-13-7-5-12(9-16(13)22-3)17(19)23-14-6-4-11(10-18)8-15(14)21-2/h4-10H,1-3H3
InChIKey
FPQDKMABOMLQGJ-UHFFFAOYSA-N
Compound name
(4-formyl-2-methoxyphenyl) 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 168.4
[M+Na]+ 339.08392 177.1
[M-H]- 315.08742 175.9
[M+NH4]+ 334.12852 183.0
[M+K]+ 355.05786 175.8
[M+H-H2O]+ 299.09196 160.2
[M+HCOO]- 361.09290 192.4
[M+CH3COO]- 375.10855 206.8
[M+Na-2H]- 337.06937 171.2
[M]+ 316.09415 176.7
[M]- 316.09525 176.7
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.