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]+ 299.091416 165.8
[M+Na]+ 321.073358 173.3
[M-H]- 297.076864 169.2
[M+NH4]+ 316.117963 178.9
[M+K]+ 337.047298 168.8
[M+H-H2O]+ 281.081400 158.9
[M+HCOO]- 343.082341 184.2
[M+CH3COO]- 357.097991 197.9
[M+Na-2H]- 319.058806 165.8
[M]+ 298.08359142 165.7
[M]- 298.08468858 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.