CID 6447960

1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one

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]+ 313.10704 171.7
[M+Na]+ 335.08898 184.2
[M+NH4]+ 330.13358 177.0
[M+K]+ 351.06292 179.0
[M-H]- 311.09248 173.2
[M+Na-2H]- 333.07443 177.0
[M]+ 312.09921 173.6
[M]- 312.10031 173.6
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.