CID 4351060

26409-24-5

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.122696	167.8
[M+Na]+	325.104638	175.4
[M-H]-	301.108144	174.9
[M+NH4]+	320.149243	182.9
[M+K]+	341.078578	174.0
[M+H-H2O]+	285.112680	159.5
[M+HCOO]-	347.113621	191.4
[M+CH3COO]-	361.129271	204.1
[M+Na-2H]-	323.090086	171.0
[M]+	302.11487142	174.9
[M]-	302.11596858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe