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 169.7
[M+Na]+ 335.08898 177.2
[M-H]- 311.09248 174.3
[M+NH4]+ 330.13358 183.0
[M+K]+ 351.06292 173.3
[M+H-H2O]+ 295.09702 162.4
[M+HCOO]- 357.09796 189.3
[M+CH3COO]- 371.11361 203.1
[M+Na-2H]- 333.07443 169.7
[M]+ 312.09921 171.9
[M]- 312.10031 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.