CID 42608054

Cerasinone

Structural Information

Molecular Formula

C₁₈H₁₈O₆

SMILES

COC1=CC(=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)O)OC

InChI

InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3

InChIKey

JVUGHKAZGNYYCA-UHFFFAOYSA-N

Compound name

2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 330.11035 Da
Monoisotopic Mass: 2.5
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]+	331.117626	173.4
[M+Na]+	353.099568	182.3
[M-H]-	329.103074	181.1
[M+NH4]+	348.144173	186.7
[M+K]+	369.073508	181.0
[M+H-H2O]+	313.107610	165.3
[M+HCOO]-	375.108551	192.0
[M+CH3COO]-	389.124201	209.4
[M+Na-2H]-	351.085016	176.9
[M]+	330.10980142	178.9
[M]-	330.11089858	178.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.