CID 71597400

[(2r)-3-hydroxy-2-methyl-1-(3,4,5-trimethoxyphenyl)butyl] 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C23H30O8
SMILES
C[C@H](C(C)O)C(C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C23H30O8/c1-13(14(2)24)21(16-11-19(28-5)22(30-7)20(12-16)29-6)31-23(25)15-8-9-17(26-3)18(10-15)27-4/h8-14,21,24H,1-7H3/t13-,14?,21?/m1/s1
InChIKey
HPTKFTAQKKBXAF-QQKMHPFRSA-N
Compound name
[(2R)-3-hydroxy-2-methyl-1-(3,4,5-trimethoxyphenyl)butyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.19406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20134 200.8
[M+Na]+ 457.18328 205.4
[M-H]- 433.18678 206.1
[M+NH4]+ 452.22788 209.6
[M+K]+ 473.15722 206.4
[M+H-H2O]+ 417.19132 191.9
[M+HCOO]- 479.19226 218.2
[M+CH3COO]- 493.20791 231.3
[M+Na-2H]- 455.16873 196.3
[M]+ 434.19351 211.4
[M]- 434.19461 211.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.