CID 11912

611-58-5

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

CN(C)CCCOC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c1-21(2)11-6-12-23-16-9-10-17-18(22)14-19(24-20(17)13-16)15-7-4-3-5-8-15/h3-5,7-10,13-14H,6,11-12H2,1-2H3

InChIKey

GTYLAXADLIHMMY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 323.15213 Da
Monoisotopic Mass: 4.3
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]+	324.159406	176.9
[M+Na]+	346.141348	184.4
[M-H]-	322.144854	186.4
[M+NH4]+	341.185953	191.0
[M+K]+	362.115288	182.1
[M+H-H2O]+	306.149390	167.5
[M+HCOO]-	368.150331	200.2
[M+CH3COO]-	382.165981	214.9
[M+Na-2H]-	344.126796	182.9
[M]+	323.15158142	182.5
[M]-	323.15267858	182.5

Literature stripe

literature stripe

Patent stripe

patents stripe