CID 5317593

Gingerenone c

Structural Information

Molecular Formula

C₂₀H₂₂O₄

SMILES

COC1=C(C=CC(=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O)O

InChI

InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3/b5-3+

InChIKey

JYHZFCAVESZNKO-HWKANZROSA-N

Compound name

(E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 23
Patents: 326.1518 Da
Monoisotopic Mass: 3.8
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]+	327.159076	178.2
[M+Na]+	349.141018	184.1
[M-H]-	325.144524	181.9
[M+NH4]+	344.185623	190.8
[M+K]+	365.114958	178.9
[M+H-H2O]+	309.149060	170.2
[M+HCOO]-	371.150001	197.7
[M+CH3COO]-	385.165651	205.3
[M+Na-2H]-	347.126466	178.8
[M]+	326.15125142	180.4
[M]-	326.15234858	180.4

Literature stripe

literature stripe

Patent stripe

patents stripe