CID 5319493

Sappanchalcone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

20
References

49
Patents

286.08414 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.8
[M+Na]+ 309.07336 170.8
[M-H]- 285.07686 166.3
[M+NH4]+ 304.11796 176.6
[M+K]+ 325.04730 166.5
[M+H-H2O]+ 269.08140 155.9
[M+HCOO]- 331.08234 182.4
[M+CH3COO]- 345.09799 194.7
[M+Na-2H]- 307.05881 164.5
[M]+ 286.08359 163.7
[M]- 286.08469 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