CID 452731

5'o-meoetoet m-digallate

Structural Information

Molecular Formula
C19H20O11
SMILES
COCCOCCOC1=CC(=CC(=C1O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O
InChI
InChI=1S/C19H20O11/c1-27-2-3-28-4-5-29-14-9-11(7-13(21)16(14)22)19(26)30-15-8-10(18(24)25)6-12(20)17(15)23/h6-9,20-23H,2-5H2,1H3,(H,24,25)
InChIKey
DOYSPCMJJPUMEM-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-5-[2-(2-methoxyethoxy)ethoxy]benzoyl]oxy-4,5-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.10056 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10784 189.3
[M+Na]+ 447.08978 194.3
[M-H]- 423.09328 189.9
[M+NH4]+ 442.13438 195.4
[M+K]+ 463.06372 194.0
[M+H-H2O]+ 407.09782 180.7
[M+HCOO]- 469.09876 204.4
[M+CH3COO]- 483.11441 217.6
[M+Na-2H]- 445.07523 187.2
[M]+ 424.10001 196.3
[M]- 424.10111 196.3
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

No patent data available for this compound.