CID 6479000

4-[3-[(e)-cinnamyl]oxyphenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C19H16O5
SMILES
C1=CC=C(C=C1)/C=C/COC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C19H16O5/c20-17(13-18(21)19(22)23)15-9-4-10-16(12-15)24-11-5-8-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,22,23)/b8-5+
InChIKey
SQERWKNZDAECCS-VMPITWQZSA-N
Compound name
2,4-dioxo-4-[3-[(E)-3-phenylprop-2-enoxy]phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 174.4
[M+Na]+ 347.08898 179.1
[M-H]- 323.09248 179.0
[M+NH4]+ 342.13358 186.7
[M+K]+ 363.06292 175.4
[M+H-H2O]+ 307.09702 166.1
[M+HCOO]- 369.09796 194.3
[M+CH3COO]- 383.11361 204.7
[M+Na-2H]- 345.07443 175.1
[M]+ 324.09921 176.1
[M]- 324.10031 176.1
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

No patent data available for this compound.