CID 24796468

Hispidin, tri-o-methyl-, cis-

Structural Information

Molecular Formula

C₁₆H₁₆O₅

SMILES

COC1=C(C=C(C=C1)/C=C\C2=CC(=CC(=O)O2)OC)OC

InChI

InChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4-

InChIKey

GBJRDULCMRSYSL-XQRVVYSFSA-N

Compound name

6-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 288.09976 Da
Monoisotopic Mass: 2.7
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]+	289.107036	162.3
[M+Na]+	311.088978	172.2
[M-H]-	287.092484	170.7
[M+NH4]+	306.133583	177.2
[M+K]+	327.062918	170.8
[M+H-H2O]+	271.097020	154.5
[M+HCOO]-	333.097961	186.6
[M+CH3COO]-	347.113611	201.0
[M+Na-2H]-	309.074426	167.5
[M]+	288.09921142	170.1
[M]-	288.10030858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe