CID 50495

3-amino-4-dipropylaminocoumarin

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂

SMILES

CCCN(CCC)C1=C(C(=O)OC2=CC=CC=C21)N

InChI

InChI=1S/C15H20N2O2/c1-3-9-17(10-4-2)14-11-7-5-6-8-12(11)19-15(18)13(14)16/h5-8H,3-4,9-10,16H2,1-2H3

InChIKey

VZAGOVHXIBZTLF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.15247 Da
Monoisotopic Mass: 3.1
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]+	261.159746	161.3
[M+Na]+	283.141688	169.0
[M-H]-	259.145194	167.6
[M+NH4]+	278.186293	178.2
[M+K]+	299.115628	167.3
[M+H-H2O]+	243.149730	153.7
[M+HCOO]-	305.150671	185.2
[M+CH3COO]-	319.166321	206.4
[M+Na-2H]-	281.127136	167.0
[M]+	260.15192142	164.8
[M]-	260.15301858	164.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.