CID 625031

Desmethoxymatteucinol

Structural Information

Molecular Formula

C₁₇H₁₆O₄

SMILES

CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)C)O

InChI

InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3

InChIKey

HAIHGFWQOPJMPV-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 284.10486 Da
Monoisotopic Mass: 3.5
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]+	285.112136	163.6
[M+Na]+	307.094078	173.0
[M-H]-	283.097584	170.2
[M+NH4]+	302.138683	178.4
[M+K]+	323.068018	169.6
[M+H-H2O]+	267.102120	156.6
[M+HCOO]-	329.103061	180.8
[M+CH3COO]-	343.118711	199.6
[M+Na-2H]-	305.079526	167.0
[M]+	284.10431142	164.1
[M]-	284.10540858	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe