CID 43003

59288-17-4

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

CN1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)N

InChI

InChI=1S/C14H17N3O2/c1-16-6-8-17(9-7-16)13-10-4-2-3-5-11(10)19-14(18)12(13)15/h2-5H,6-9,15H2,1H3

InChIKey

OZISUROFJWDSRG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1
Patents: 259.13208 Da
Monoisotopic Mass: 1.1
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]+	260.139356	160.4
[M+Na]+	282.121298	168.6
[M-H]-	258.124804	165.4
[M+NH4]+	277.165903	173.7
[M+K]+	298.095238	165.1
[M+H-H2O]+	242.129340	151.0
[M+HCOO]-	304.130281	177.5
[M+CH3COO]-	318.145931	171.4
[M+Na-2H]-	280.106746	165.6
[M]+	259.13153142	157.6
[M]-	259.13262858	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe