CID 5355888

2',5'-dihydroxy-4-methoxychalcone

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)O)O
InChI
InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-8-15(18)14-10-12(17)5-9-16(14)19/h2-10,17,19H,1H3/b8-4+
InChIKey
FUQGIYDZGLORRC-XBXARRHUSA-N
Compound name
(E)-1-(2,5-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

270.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.8
[M+Na]+ 293.07842 167.5
[M-H]- 269.08192 164.4
[M+NH4]+ 288.12302 174.8
[M+K]+ 309.05236 163.2
[M+H-H2O]+ 253.08646 152.8
[M+HCOO]- 315.08740 180.8
[M+CH3COO]- 329.10305 193.4
[M+Na-2H]- 291.06387 162.6
[M]+ 270.08865 160.7
[M]- 270.08975 160.7
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