CID 57183

Brn 5662594

Structural Information

Molecular Formula
C22H26O10
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H26O10/c1-25-15-9-13(10-16(26-2)19(15)29-5)21(23)31-7-8-32-22(24)14-11-17(27-3)20(30-6)18(12-14)28-4/h9-12H,7-8H2,1-6H3
InChIKey
NJAAEHLJHJCXQM-UHFFFAOYSA-N
Compound name
2-(3,4,5-trimethoxybenzoyl)oxyethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

450.1526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15988 201.8
[M+Na]+ 473.14182 212.7
[M+NH4]+ 468.18642 204.4
[M+K]+ 489.11576 209.4
[M-H]- 449.14532 202.0
[M+Na-2H]- 471.12727 204.9
[M]+ 450.15205 203.1
[M]- 450.15315 203.1
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

patents stripe