CID 101159250

Ns00117086

Structural Information

Molecular Formula

C₁₈H₁₆O₄

SMILES

CC(CO)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3

InChI

InChI=1S/C18H16O4/c1-12(10-19)22-14-7-8-15-17(9-14)21-11-16(18(15)20)13-5-3-2-4-6-13/h2-9,11-12,19H,10H2,1H3

InChIKey

MGBMXLMPUFBMPC-UHFFFAOYSA-N

Compound name

7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 296.10486 Da
Monoisotopic Mass: 2.9
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	166.3
[M+Na]+	319.094078	174.6
[M-H]-	295.097584	173.7
[M+NH4]+	314.138683	180.5
[M+K]+	335.068018	171.8
[M+H-H2O]+	279.102120	158.2
[M+HCOO]-	341.103061	186.6
[M+CH3COO]-	355.118711	201.3
[M+Na-2H]-	317.079526	172.3
[M]+	296.10431142	169.8
[M]-	296.10540858	169.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.