CID 3078

Dimefline

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3

InChIKey

ZXFQRFXLFWWKLX-UHFFFAOYSA-N

Compound name

8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 29
References: 711
Patents: 323.15213 Da
Monoisotopic Mass: 3.6
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]+	324.15941	177.0
[M+Na]+	346.14135	186.4
[M-H]-	322.14485	187.4
[M+NH4]+	341.18595	191.8
[M+K]+	362.11529	184.3
[M+H-H2O]+	306.14939	168.0
[M+HCOO]-	368.15033	200.3
[M+CH3COO]-	382.16598	217.4
[M+Na-2H]-	344.12680	181.6
[M]+	323.15158	183.5
[M]-	323.15268	183.5

Literature stripe

literature stripe

Patent stripe

patents stripe