CID 4547409

(dimethoxy-ph)-4-ho-5,6,7-trimethoxy-naphthalene-2-carboxylic acid tert-bu ester

Structural Information

Molecular Formula
C26H30O8
SMILES
CC(C)(C)OC(=O)C1=C(C2=CC(=C(C(=C2C(=C1)O)OC)OC)OC)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C26H30O8/c1-26(2,3)34-25(28)16-12-17(27)22-15(13-20(31-6)23(32-7)24(22)33-8)21(16)14-9-10-18(29-4)19(11-14)30-5/h9-13,27H,1-8H3
InChIKey
PKXFTGAYOBXESM-UHFFFAOYSA-N
Compound name
tert-butyl 1-(3,4-dimethoxyphenyl)-4-hydroxy-5,6,7-trimethoxynaphthalene-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 212.3
[M+Na]+ 493.18328 220.2
[M-H]- 469.18678 219.4
[M+NH4]+ 488.22788 221.4
[M+K]+ 509.15722 219.8
[M+H-H2O]+ 453.19132 203.2
[M+HCOO]- 515.19226 229.2
[M+CH3COO]- 529.20791 239.2
[M+Na-2H]- 491.16873 212.0
[M]+ 470.19351 224.9
[M]- 470.19461 224.9
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.