CID 6438092

Homobutein

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C16H14O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h2-9,17,19-20H,1H3/b6-2+
InChIKey
BWFSBUVPIAIXKJ-QHHAFSJGSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

81
Patents

286.08414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 164.7
[M+Na]+ 309.07336 177.5
[M+NH4]+ 304.11796 170.4
[M+K]+ 325.04730 172.3
[M-H]- 285.07686 166.2
[M+Na-2H]- 307.05881 170.3
[M]+ 286.08359 166.7
[M]- 286.08469 166.7
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