CID 216530

2-(4-diphenylmethyl-1-piperazinyl)-9h-purine dimethanesulfonate

Structural Information

Molecular Formula

C₂₂H₂₂N₆

SMILES

C1CN(CCN1C2=NC=C3C(=N2)N=CN3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N6/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)27-11-13-28(14-12-27)22-23-15-19-21(26-22)25-16-24-19/h1-10,15-16,20H,11-14H2,(H,23,24,25,26)

InChIKey

OIXPLFWCBQCQDS-UHFFFAOYSA-N

Compound name

2-(4-benzhydrylpiperazin-1-yl)-7H-purine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.19058 Da
Monoisotopic Mass: 3.6
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]+	371.197856	188.5
[M+Na]+	393.179798	194.2
[M-H]-	369.183304	192.0
[M+NH4]+	388.224403	192.8
[M+K]+	409.153738	184.7
[M+H-H2O]+	353.187840	173.9
[M+HCOO]-	415.188781	199.1
[M+CH3COO]-	429.204431	194.7
[M+Na-2H]-	391.165246	191.7
[M]+	370.19003142	182.7
[M]-	370.19112858	182.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.