CID 3228611

84746-24-7

Structural Information

Molecular Formula

C₁₂H₁₄N₆

SMILES

C1CN(CCN1C2=NC=CC=N2)C3=NC=CC=N3

InChI

InChI=1S/C12H14N6/c1-3-13-11(14-4-1)17-7-9-18(10-8-17)12-15-5-2-6-16-12/h1-6H,7-10H2

InChIKey

CGDIIYVMINKXRL-UHFFFAOYSA-N

Compound name

2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 242.12799 Da
Monoisotopic Mass: 0.9
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]+	243.135266	158.9
[M+Na]+	265.117208	165.6
[M-H]-	241.120714	159.3
[M+NH4]+	260.161813	166.8
[M+K]+	281.091148	159.9
[M+H-H2O]+	225.125250	145.6
[M+HCOO]-	287.126191	172.3
[M+CH3COO]-	301.141841	167.5
[M+Na-2H]-	263.102656	166.5
[M]+	242.12744142	153.4
[M]-	242.12853858	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe