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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 167.8
[M+Na]+ 325.10464 175.4
[M-H]- 301.10814 174.9
[M+NH4]+ 320.14924 182.9
[M+K]+ 341.07858 174.0
[M+H-H2O]+ 285.11268 159.5
[M+HCOO]- 347.11362 191.4
[M+CH3COO]- 361.12927 204.1
[M+Na-2H]- 323.09009 171.0
[M]+ 302.11487 174.9
[M]- 302.11597 174.9
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