CID 54689812

101468-14-8

Structural Information

Molecular Formula

C₁₉H₁₆O₄

SMILES

C=C(CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)O

InChI

InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,20-21H,1,11H2

InChIKey

BBOSKMPTDUUMKL-UHFFFAOYSA-N

Compound name

4-hydroxy-3-(3-hydroxy-1-phenylbut-3-enyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 308.10486 Da
Monoisotopic Mass: 3.1
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]+	309.112136	170.0
[M+Na]+	331.094078	177.4
[M-H]-	307.097584	175.9
[M+NH4]+	326.138683	182.7
[M+K]+	347.068018	173.5
[M+H-H2O]+	291.102120	162.2
[M+HCOO]-	353.103061	187.6
[M+CH3COO]-	367.118711	202.3
[M+Na-2H]-	329.079526	173.9
[M]+	308.10431142	170.7
[M]-	308.10540858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe