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 190.7
[M+Na]+ 401.13595 196.7
[M-H]- 377.13945 200.2
[M+NH4]+ 396.18055 201.8
[M+K]+ 417.10989 193.5
[M+H-H2O]+ 361.14399 180.1
[M+HCOO]- 423.14493 213.3
[M+CH3COO]- 437.16058 217.9
[M+Na-2H]- 399.12140 192.9
[M]+ 378.14618 196.7
[M]- 378.14728 196.7
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

patents stripe