CID 6482695

Schembl5003462

Structural Information

Molecular Formula

C₁₉H₁₈ClN₅

SMILES

C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN5/c20-16-3-1-15(2-4-16)18-13-22-14-19(23-18)25-11-9-24(10-12-25)17-5-7-21-8-6-17/h1-8,13-14H,9-12H2

InChIKey

RCFBRFUSIMEZEX-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 351.12506 Da
Monoisotopic Mass: 3.1
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]+	352.132336	185.1
[M+Na]+	374.114278	192.2
[M-H]-	350.117784	189.3
[M+NH4]+	369.158883	190.5
[M+K]+	390.088218	183.2
[M+H-H2O]+	334.122320	170.2
[M+HCOO]-	396.123261	193.7
[M+CH3COO]-	410.138911	192.4
[M+Na-2H]-	372.099726	189.2
[M]+	351.12451142	181.4
[M]-	351.12560858	181.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe