CID 475514

L-708906

Structural Information

Molecular Formula
C24H20O6
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(=O)CC(=O)C(=O)O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)
InChIKey
SLRLQBRWUMWEOZ-UHFFFAOYSA-N
Compound name
4-[3,5-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

26
Patents

404.12598 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13326 195.0
[M+Na]+ 427.11520 198.7
[M-H]- 403.11870 202.5
[M+NH4]+ 422.15980 203.3
[M+K]+ 443.08914 195.3
[M+H-H2O]+ 387.12324 184.6
[M+HCOO]- 449.12418 214.2
[M+CH3COO]- 463.13983 220.5
[M+Na-2H]- 425.10065 194.9
[M]+ 404.12543 198.0
[M]- 404.12653 198.0
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