CID 47003077

1-[4-(3-amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂

SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC)N

InChI

InChI=1S/C12H18N4O2/c1-9(17)15-5-7-16(8-6-15)12-10(13)3-4-11(14-12)18-2/h3-4H,5-8,13H2,1-2H3

InChIKey

SLSGBZVKCWAPAV-UHFFFAOYSA-N

Compound name

1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 250.14297 Da
Monoisotopic Mass: 0.2
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]+	251.150246	159.7
[M+Na]+	273.132188	166.1
[M-H]-	249.135694	161.6
[M+NH4]+	268.176793	172.2
[M+K]+	289.106128	163.2
[M+H-H2O]+	233.140230	150.1
[M+HCOO]-	295.141171	176.4
[M+CH3COO]-	309.156821	196.6
[M+Na-2H]-	271.117636	161.9
[M]+	250.14242142	156.3
[M]-	250.14351858	156.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.