CID 17855548

4-ethoxy-2-(piperazin-1-yl)pyrimidine

Structural Information

Molecular Formula

C₁₀H₁₆N₄O

SMILES

CCOC1=NC(=NC=C1)N2CCNCC2

InChI

InChI=1S/C10H16N4O/c1-2-15-9-3-4-12-10(13-9)14-7-5-11-6-8-14/h3-4,11H,2,5-8H2,1H3

InChIKey

KOSSOXUTKRWSAI-UHFFFAOYSA-N

Compound name

4-ethoxy-2-piperazin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 208.13242 Da
Monoisotopic Mass: 0.7
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]+	209.13970	148.9
[M+Na]+	231.12164	161.3
[M+NH4]+	226.16624	155.6
[M+K]+	247.09558	155.0
[M-H]-	207.12514	150.1
[M+Na-2H]-	229.10709	155.7
[M]+	208.13187	150.7
[M]-	208.13297	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe