CID 13990811

2',4',6'-trihydroxy-4-methoxychalcone

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C16H14O5/c1-21-12-5-2-10(3-6-12)4-7-13(18)16-14(19)8-11(17)9-15(16)20/h2-9,17,19-20H,1H3/b7-4+
InChIKey
DGUBZDXYXXUHTJ-QPJJXVBHSA-N
Compound name
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

286.08414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091416 162.8
[M+Na]+ 309.073358 170.8
[M-H]- 285.076864 166.3
[M+NH4]+ 304.117963 176.6
[M+K]+ 325.047298 166.5
[M+H-H2O]+ 269.081400 155.9
[M+HCOO]- 331.082341 182.4
[M+CH3COO]- 345.097991 194.7
[M+Na-2H]- 307.058806 164.5
[M]+ 286.08359142 163.7
[M]- 286.08468858 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe