CID 6447959

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

Structural Information

Molecular Formula
C17H14O5
SMILES
CC(=O)C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC=CC=C2O
InChI
InChI=1S/C17H14O5/c1-10(18)12-8-13(17(22)9-16(12)21)15(20)7-6-11-4-2-3-5-14(11)19/h2-9,19,21-22H,1H3/b7-6+
InChIKey
MZJNPFBIAPPQDR-VOTSOKGWSA-N
Compound name
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 165.8
[M+Na]+ 321.07336 173.3
[M-H]- 297.07686 169.2
[M+NH4]+ 316.11796 178.9
[M+K]+ 337.04730 168.8
[M+H-H2O]+ 281.08140 158.9
[M+HCOO]- 343.08234 184.2
[M+CH3COO]- 357.09799 197.9
[M+Na-2H]- 319.05881 165.8
[M]+ 298.08359 165.7
[M]- 298.08469 165.7
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.