CID 270581

Tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxylate

Structural Information

Molecular Formula
C26H30O8
SMILES
CC(C)(C)OC(=O)C1=C(C2=CC(=C(C=C2C(=C1)O)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H30O8/c1-26(2,3)34-25(28)17-11-18(27)15-12-19(29-4)20(30-5)13-16(15)23(17)14-9-21(31-6)24(33-8)22(10-14)32-7/h9-13,27H,1-8H3
InChIKey
IJFSYMFPIMKLTN-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.19406 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20134 212.4
[M+Na]+ 493.18328 225.6
[M+NH4]+ 488.22788 216.7
[M+K]+ 509.15722 220.7
[M-H]- 469.18678 214.3
[M+Na-2H]- 491.16873 216.1
[M]+ 470.19351 214.9
[M]- 470.19461 214.9
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

No patent data available for this compound.