CID 4351060

Methyl 3-(benzyloxy)-4,5-dimethoxybenzoate

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C(=CC(=C1)C(=O)OC)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C17H18O5/c1-19-14-9-13(17(18)21-3)10-15(16(14)20-2)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKey
MGOIFPBITUBYTQ-UHFFFAOYSA-N
Compound name
methyl 3,4-dimethoxy-5-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

302.11542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 168.4
[M+Na]+ 325.10464 182.3
[M+NH4]+ 320.14924 175.3
[M+K]+ 341.07858 175.8
[M-H]- 301.10814 171.7
[M+Na-2H]- 323.09009 176.0
[M]+ 302.11487 171.3
[M]- 302.11597 171.3
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

patents stripe