CID 641785

Cardamonin

Structural Information

Molecular Formula

C₁₆H₁₄O₄

SMILES

COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O)O

InChI

InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+

InChIKey

NYSZJNUIVUBQMM-BQYQJAHWSA-N

Compound name

(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 190
References: 2385
Patents: 270.0892 Da
Monoisotopic Mass: 3.5
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]+	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

Literature stripe

literature stripe

Patent stripe

patents stripe