CID 688943

84865-19-0

Structural Information

Molecular Formula

C₁₉H₁₉NO₂

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO2/c1-3-20(4-2)16-11-10-15-12-17(14-8-6-5-7-9-14)19(21)22-18(15)13-16/h5-13H,3-4H2,1-2H3

InChIKey

PSJYODMHCCQXQB-UHFFFAOYSA-N

Compound name

7-(diethylamino)-3-phenylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 412
Patents: 293.14157 Da
Monoisotopic Mass: 4.4
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]+	294.148846	168.9
[M+Na]+	316.130788	177.1
[M-H]-	292.134294	178.7
[M+NH4]+	311.175393	184.4
[M+K]+	332.104728	174.3
[M+H-H2O]+	276.138830	160.0
[M+HCOO]-	338.139771	192.4
[M+CH3COO]-	352.155421	209.8
[M+Na-2H]-	314.116236	175.4
[M]+	293.14102142	172.7
[M]-	293.14211858	172.7

Literature stripe

literature stripe

Patent stripe

patents stripe