CID 5079565

Methyl 3-methoxy-4,5-bis(phenylmethoxy)benzoate

Structural Information

Molecular Formula
C23H22O5
SMILES
COC1=C(C(=CC(=C1)C(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C23H22O5/c1-25-20-13-19(23(24)26-2)14-21(27-15-17-9-5-3-6-10-17)22(20)28-16-18-11-7-4-8-12-18/h3-14H,15-16H2,1-2H3
InChIKey
ATEQFFGYRTYMPG-UHFFFAOYSA-N
Compound name
methyl 3-methoxy-4,5-bis(phenylmethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

378.14673 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 190.9
[M+Na]+ 401.13595 206.4
[M+NH4]+ 396.18055 197.9
[M+K]+ 417.10989 197.9
[M-H]- 377.13945 196.9
[M+Na-2H]- 399.12140 201.0
[M]+ 378.14618 194.9
[M]- 378.14728 194.9
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