CID 86184

Cor 3286

Structural Information

Molecular Formula

C₁₂H₁₈N₆O

SMILES

C1CN(CCN1CC2CN=C(O2)N)C3=NC=CC=N3

InChI

InChI=1S/C12H18N6O/c13-11-16-8-10(19-11)9-17-4-6-18(7-5-17)12-14-2-1-3-15-12/h1-3,10H,4-9H2,(H2,13,16)

InChIKey

CFFBLPKCMVYPLU-UHFFFAOYSA-N

Compound name

5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 262.1542 Da
Monoisotopic Mass: -0.5
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]+	263.161476	162.0
[M+Na]+	285.143418	167.7
[M-H]-	261.146924	164.5
[M+NH4]+	280.188023	170.9
[M+K]+	301.117358	164.4
[M+H-H2O]+	245.151460	149.9
[M+HCOO]-	307.152401	176.2
[M+CH3COO]-	321.168051	170.9
[M+Na-2H]-	283.128866	164.7
[M]+	262.15365142	156.5
[M]-	262.15474858	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe