CID 160000

Centperazine

Structural Information

Molecular Formula

C₁₀H₁₉N₃O

SMILES

CCN1CCC2CN(CCN2C1=O)C

InChI

InChI=1S/C10H19N3O/c1-3-12-5-4-9-8-11(2)6-7-13(9)10(12)14/h9H,3-8H2,1-2H3

InChIKey

RJIZRWPAYCUABD-UHFFFAOYSA-N

Compound name

7-ethyl-2-methyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-c]pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 0
Patents: 197.15282 Da
Monoisotopic Mass: 0.1
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]+	198.16010	147.9
[M+Na]+	220.14204	159.0
[M+NH4]+	215.18664	155.6
[M+K]+	236.11598	152.7
[M-H]-	196.14554	148.3
[M+Na-2H]-	218.12749	150.5
[M]+	197.15227	149.3
[M]-	197.15337	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.