CID 128664

Ta-7552

Structural Information

Molecular Formula
C25H26O10
SMILES
COC1=C(C=C(C=C1)C2=C(C(=C(C3=CC(=C(C(=C32)OC)OC)OC)O)C(=O)OC)C(=O)OC)OC
InChI
InChI=1S/C25H26O10/c1-29-14-9-8-12(10-15(14)30-2)17-18-13(11-16(31-3)22(32-4)23(18)33-5)21(26)20(25(28)35-7)19(17)24(27)34-6/h8-11,26H,1-7H3
InChIKey
DTCYXOLBEPGOHV-UHFFFAOYSA-N
Compound name
dimethyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxynaphthalene-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

486.1526 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.15988 212.1
[M+Na]+ 509.14182 224.8
[M+NH4]+ 504.18642 215.2
[M+K]+ 525.11576 221.1
[M-H]- 485.14532 213.3
[M+Na-2H]- 507.12727 214.6
[M]+ 486.15205 214.1
[M]- 486.15315 214.1
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

patents stripe