CID 5711223

2',4'-dihydroxy-4-methoxychalcone

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+
InChIKey
ADRQFDIWPRFKSP-RUDMXATFSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

61
Patents

270.0892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 161.3
[M+Na]+ 293.07842 174.8
[M+NH4]+ 288.12302 168.0
[M+K]+ 309.05236 168.5
[M-H]- 269.08192 163.8
[M+Na-2H]- 291.06387 168.3
[M]+ 270.08865 163.8
[M]- 270.08975 163.8
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