CID 746424

315233-68-2

Structural Information

Molecular Formula

C₁₈H₁₆O₃

SMILES

CC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC)C

InChI

InChI=1S/C18H16O3/c1-11-6-4-5-7-14(11)17-12(2)21-16-10-13(20-3)8-9-15(16)18(17)19/h4-10H,1-3H3

InChIKey

CRWPQBRWLKHRDN-UHFFFAOYSA-N

Compound name

7-methoxy-2-methyl-3-(2-methylphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 280.10995 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]+	281.117226	162.5
[M+Na]+	303.099168	173.7
[M-H]-	279.102674	172.1
[M+NH4]+	298.143773	179.0
[M+K]+	319.073108	170.7
[M+H-H2O]+	263.107210	154.7
[M+HCOO]-	325.108151	185.2
[M+CH3COO]-	339.123801	203.1
[M+Na-2H]-	301.084616	168.7
[M]+	280.10940142	167.9
[M]-	280.11049858	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.