CID 6447959

Brn 5581996

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 167.9
[M+Na]+ 321.07336 180.1
[M+NH4]+ 316.11796 173.0
[M+K]+ 337.04730 175.4
[M-H]- 297.07686 168.9
[M+Na-2H]- 319.05881 172.8
[M]+ 298.08359 169.6
[M]- 298.08469 169.6
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.