CID 6439187

Kukulkanin b

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

COC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O

InChI

InChI=1S/C16H14O5/c1-21-16-14(19)9-7-12(15(16)20)13(18)8-4-10-2-5-11(17)6-3-10/h2-9,17,19-20H,1H3/b8-4+

InChIKey

ZFZIDBSKEIJNRS-XBXARRHUSA-N

Compound name

(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 286.08414 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.