CID 58376

101468-13-7

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)N

InChI

InChI=1S/C13H16N2O2/c1-3-15(4-2)12-9-7-5-6-8-10(9)17-13(16)11(12)14/h5-8H,3-4,14H2,1-2H3

InChIKey

VGSSSRDHKMKFIO-UHFFFAOYSA-N

Compound name

3-amino-4-(diethylamino)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.12119 Da
Monoisotopic Mass: 2.0
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]+	233.128466	151.8
[M+Na]+	255.110408	160.4
[M-H]-	231.113914	158.4
[M+NH4]+	250.155013	169.8
[M+K]+	271.084348	159.2
[M+H-H2O]+	215.118450	144.6
[M+HCOO]-	277.119391	176.4
[M+CH3COO]-	291.135041	200.4
[M+Na-2H]-	253.095856	158.6
[M]+	232.12064142	154.6
[M]-	232.12173858	154.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.