CID 11834

Fla 11

Structural Information

Molecular Formula

C₂₁H₂₃NO₃

SMILES

CC(CN(C)C)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-15(13-22(2)3)14-24-17-9-10-18-19(23)12-20(25-21(18)11-17)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3

InChIKey

HYLZXXAYLLCCPW-UHFFFAOYSA-N

Compound name

7-[3-(dimethylamino)-2-methylpropoxy]-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 337.1678 Da
Monoisotopic Mass: 4.8
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]+	338.175076	181.8
[M+Na]+	360.157018	188.5
[M-H]-	336.160524	191.2
[M+NH4]+	355.201623	195.2
[M+K]+	376.130958	186.6
[M+H-H2O]+	320.165060	172.4
[M+HCOO]-	382.166001	203.7
[M+CH3COO]-	396.181651	218.8
[M+Na-2H]-	358.142466	186.1
[M]+	337.16725142	187.1
[M]-	337.16834858	187.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe