CID 6447960

108051-26-9

Structural Information

Molecular Formula
C18H16O5
SMILES
CC(=O)C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H16O5/c1-11(19)14-9-15(18(22)10-17(14)21)16(20)8-5-12-3-6-13(23-2)7-4-12/h3-10,21-22H,1-2H3/b8-5+
InChIKey
YUXJUMJXMFYOPQ-VMPITWQZSA-N
Compound name
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.107036 169.7
[M+Na]+ 335.088978 177.2
[M-H]- 311.092484 174.3
[M+NH4]+ 330.133583 183.0
[M+K]+ 351.062918 173.3
[M+H-H2O]+ 295.097020 162.4
[M+HCOO]- 357.097961 189.3
[M+CH3COO]- 371.113611 203.1
[M+Na-2H]- 333.074426 169.7
[M]+ 312.09921142 171.9
[M]- 312.10030858 171.9
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.