CID 44257561

Kuhlmannene

Structural Information

Molecular Formula

C₁₇H₁₆O₄

SMILES

COC1=C(C=C2C(=CCOC2=C1OC)C3=CC=CC=C3)O

InChI

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

InChIKey

QXQLVOYXUUJJNQ-UHFFFAOYSA-N

Compound name

7,8-dimethoxy-4-phenyl-2H-chromen-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.10486 Da
Monoisotopic Mass: 3.0
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]+	285.11214	163.3
[M+Na]+	307.09408	172.0
[M-H]-	283.09758	170.8
[M+NH4]+	302.13868	178.4
[M+K]+	323.06802	169.7
[M+H-H2O]+	267.10212	155.4
[M+HCOO]-	329.10306	183.3
[M+CH3COO]-	343.11871	199.6
[M+Na-2H]-	305.07953	169.4
[M]+	284.10431	166.8
[M]-	284.10541	166.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.