CID 4368133

3-(3-benzyloxy-4,5-dimethoxy-phenyl)-propionic acid

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=C(C(=CC(=C1)CCC(=O)O)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C18H20O5/c1-21-15-10-14(8-9-17(19)20)11-16(18(15)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,20)
InChIKey
LPBCEPCPEBQEIW-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.13107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 173.5
[M+Na]+ 339.12029 186.5
[M+NH4]+ 334.16489 179.8
[M+K]+ 355.09423 180.1
[M-H]- 315.12379 176.2
[M+Na-2H]- 337.10574 180.2
[M]+ 316.13052 176.0
[M]- 316.13162 176.0
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