CID 270581

96765-39-8

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]+ 471.201336 212.3
[M+Na]+ 493.183278 220.2
[M-H]- 469.186784 219.4
[M+NH4]+ 488.227883 221.4
[M+K]+ 509.157218 219.8
[M+H-H2O]+ 453.191320 203.2
[M+HCOO]- 515.192261 229.2
[M+CH3COO]- 529.207911 239.2
[M+Na-2H]- 491.168726 212.0
[M]+ 470.19351142 224.9
[M]- 470.19460858 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.