CID 342294

7-hydroxy-5-methoxyflavan

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

COC1=CC(=CC2=C1CCC(O2)C3=CC=CC=C3)O

InChI

InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3

InChIKey

UNCVBXFEZHBZKN-UHFFFAOYSA-N

Compound name

5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-7-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5
Patents: 256.10995 Da
Monoisotopic Mass: 3.4
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]+	257.11723	156.4
[M+Na]+	279.09917	163.8
[M-H]-	255.10267	163.3
[M+NH4]+	274.14377	172.4
[M+K]+	295.07311	161.1
[M+H-H2O]+	239.10721	148.9
[M+HCOO]-	301.10815	175.2
[M+CH3COO]-	315.12380	168.5
[M+Na-2H]-	277.08462	162.8
[M]+	256.10940	156.3
[M]-	256.11050	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe