CID 395945

79604-93-6

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-3-17(4-2)10-6-5-9-7-11(13(15)18)14(16)19-12(9)8-10/h5-8,16H,3-4H2,1-2H3,(H2,15,18)

InChIKey

MOIMPUQANPQHJY-UHFFFAOYSA-N

Compound name

7-(diethylamino)-2-iminochromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 259.13208 Da
Monoisotopic Mass: 1.9
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]+	260.139356	160.2
[M+Na]+	282.121298	167.5
[M-H]-	258.124804	166.7
[M+NH4]+	277.165903	176.5
[M+K]+	298.095238	166.0
[M+H-H2O]+	242.129340	152.6
[M+HCOO]-	304.130281	184.6
[M+CH3COO]-	318.145931	208.8
[M+Na-2H]-	280.106746	165.5
[M]+	259.13153142	161.3
[M]-	259.13262858	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.