CID 13989915

6-[(2r,3r)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole

Structural Information

Molecular Formula
C24H32O7
SMILES
COC[C@H](CC1=CC(=C(C=C1)OC)OC)[C@@H](CC2=CC3=C(C(=C2)OC)OCO3)COC
InChI
InChI=1S/C24H32O7/c1-25-13-18(8-16-6-7-20(27-3)21(10-16)28-4)19(14-26-2)9-17-11-22(29-5)24-23(12-17)30-15-31-24/h6-7,10-12,18-19H,8-9,13-15H2,1-5H3/t18-,19-/m0/s1
InChIKey
RCFGIEPQSDGMJJ-OALUTQOASA-N
Compound name
6-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

432.2148 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22208 206.7
[M+Na]+ 455.20402 211.3
[M-H]- 431.20752 214.9
[M+NH4]+ 450.24862 216.3
[M+K]+ 471.17796 212.5
[M+H-H2O]+ 415.21206 198.4
[M+HCOO]- 477.21300 224.0
[M+CH3COO]- 491.22865 230.7
[M+Na-2H]- 453.18947 205.7
[M]+ 432.21425 218.8
[M]- 432.21535 218.8
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

No patent data available for this compound.