CID 6447963

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

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]+ 343.117626 176.3
[M+Na]+ 365.099568 184.0
[M-H]- 341.103074 181.1
[M+NH4]+ 360.144173 188.5
[M+K]+ 381.073508 180.8
[M+H-H2O]+ 325.107610 168.8
[M+HCOO]- 387.108551 195.7
[M+CH3COO]- 401.124201 209.7
[M+Na-2H]- 363.085016 175.3
[M]+ 342.10980142 180.7
[M]- 342.11089858 180.7
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.