CID 369598

Desmosflavone

Structural Information

Molecular Formula

C₁₈H₁₆O₄

SMILES

CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3

InChIKey

PQZXFPBMXPGZMO-UHFFFAOYSA-N

Compound name

5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1
Patents: 296.10486 Da
Monoisotopic Mass: 4.1
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]+	297.112136	166.2
[M+Na]+	319.094078	177.6
[M-H]-	295.097584	174.7
[M+NH4]+	314.138683	181.4
[M+K]+	335.068018	174.5
[M+H-H2O]+	279.102120	158.5
[M+HCOO]-	341.103061	187.4
[M+CH3COO]-	355.118711	204.3
[M+Na-2H]-	317.079526	171.3
[M]+	296.10431142	171.6
[M]-	296.10540858	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe