CID 50496

69405-48-7

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC4=CC=CC=C43)N

InChI

InChI=1S/C19H19N3O2/c20-17-18(15-8-4-5-9-16(15)24-19(17)23)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9H,10-13,20H2

InChIKey

JMMKNFSLHJYTGJ-UHFFFAOYSA-N

Compound name

3-amino-4-(4-phenylpiperazin-1-yl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 321.14774 Da
Monoisotopic Mass: 2.9
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]+	322.155016	177.0
[M+Na]+	344.136958	184.2
[M-H]-	320.140464	184.7
[M+NH4]+	339.181563	187.0
[M+K]+	360.110898	179.0
[M+H-H2O]+	304.145000	165.6
[M+HCOO]-	366.145941	193.5
[M+CH3COO]-	380.161591	186.7
[M+Na-2H]-	342.122406	181.8
[M]+	321.14719142	173.1
[M]-	321.14828858	173.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.