CID 135445467

33017-97-9

Structural Information

Molecular Formula

C₁₂H₁₈N₄O

SMILES

CN1CCN(CC1)C2=NC3=C(CCC3)C(=O)N2

InChI

InChI=1S/C12H18N4O/c1-15-5-7-16(8-6-15)12-13-10-4-2-3-9(10)11(17)14-12/h2-8H2,1H3,(H,13,14,17)

InChIKey

HNUCZRIXNYRSNB-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 234.14806 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]+	235.155336	156.3
[M+Na]+	257.137278	163.6
[M-H]-	233.140784	156.6
[M+NH4]+	252.181883	170.6
[M+K]+	273.111218	158.7
[M+H-H2O]+	217.145320	146.5
[M+HCOO]-	279.146261	169.5
[M+CH3COO]-	293.161911	166.1
[M+Na-2H]-	255.122726	158.3
[M]+	234.14751142	150.5
[M]-	234.14860858	150.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.