CID 221370

5461-99-4

Structural Information

Molecular Formula

C₁₇H₁₆O₃

SMILES

CC1=CC2=C(C(=C1)OC)OC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16O3/c1-11-8-13-14(18)10-15(12-6-4-3-5-7-12)20-17(13)16(9-11)19-2/h3-9,15H,10H2,1-2H3

InChIKey

DVKYEWQUGKCKRF-UHFFFAOYSA-N

Compound name

8-methoxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 268.10995 Da
Monoisotopic Mass: 3.2
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]+	269.117226	159.6
[M+Na]+	291.099168	168.2
[M-H]-	267.102674	168.1
[M+NH4]+	286.143773	176.0
[M+K]+	307.073108	165.7
[M+H-H2O]+	251.107210	151.8
[M+HCOO]-	313.108151	179.7
[M+CH3COO]-	327.123801	199.5
[M+Na-2H]-	289.084616	165.1
[M]+	268.10940142	161.3
[M]-	268.11049858	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.