CID 6447963

Brn 5604752

Structural Information

Molecular Formula
C19H18O6
SMILES
CC(=O)C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H18O6/c1-11(20)13-9-14(17(23)10-16(13)22)15(21)6-4-12-5-7-18(24-2)19(8-12)25-3/h4-10,22-23H,1-3H3/b6-4+
InChIKey
LNBQQCVTOWRQAV-GQCTYLIASA-N
Compound name
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 178.7
[M+Na]+ 365.09957 191.0
[M+NH4]+ 360.14417 183.3
[M+K]+ 381.07351 186.3
[M-H]- 341.10307 179.7
[M+Na-2H]- 363.08502 183.1
[M]+ 342.10980 180.5
[M]- 342.11090 180.5
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.