CID 14585243

111641-17-9

Structural Information

Molecular Formula

C₁₆H₂₆N₆

SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCNCC4

InChI

InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2

InChIKey

XTPTVAPEXHUUDR-UHFFFAOYSA-N

Compound name

4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 104
Patents: 302.2219 Da
Monoisotopic Mass: 1.9
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]+	303.229176	175.2
[M+Na]+	325.211118	177.4
[M-H]-	301.214624	177.0
[M+NH4]+	320.255723	183.3
[M+K]+	341.185058	172.0
[M+H-H2O]+	285.219160	161.4
[M+HCOO]-	347.220101	183.4
[M+CH3COO]-	361.235751	181.2
[M+Na-2H]-	323.196566	170.8
[M]+	302.22135142	163.6
[M]-	302.22244858	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe