CID 57184

Brn 2713939

Structural Information

Molecular Formula
C24H30O10
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C24H30O10/c1-27-17-11-15(12-18(28-2)21(17)31-5)23(25)33-9-7-8-10-34-24(26)16-13-19(29-3)22(32-6)20(14-16)30-4/h11-14H,7-10H2,1-6H3
InChIKey
RAUJLZYZMCGPMP-UHFFFAOYSA-N
Compound name
4-(3,4,5-trimethoxybenzoyl)oxybutyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.1839 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19118 208.3
[M+Na]+ 501.17312 214.0
[M-H]- 477.17662 214.9
[M+NH4]+ 496.21772 216.0
[M+K]+ 517.14706 215.4
[M+H-H2O]+ 461.18116 198.1
[M+HCOO]- 523.18210 229.2
[M+CH3COO]- 537.19775 238.8
[M+Na-2H]- 499.15857 205.8
[M]+ 478.18335 224.6
[M]- 478.18445 224.6
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.