CID 6482659

Schembl4992059

Structural Information

Molecular Formula

C₂₃H₂₁N₅

SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H21N5/c1-2-6-19-15-20(9-8-18(19)5-1)21-16-24-17-23(26-21)28-13-11-27(12-14-28)22-7-3-4-10-25-22/h1-10,15-17H,11-14H2

InChIKey

KXSMYUVLSVVRDU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 367.1797 Da
Monoisotopic Mass: 4.0
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]+	368.18698	193.3
[M+Na]+	390.16892	199.2
[M-H]-	366.17242	198.3
[M+NH4]+	385.21352	197.7
[M+K]+	406.14286	189.6
[M+H-H2O]+	350.17696	177.4
[M+HCOO]-	412.17790	204.7
[M+CH3COO]-	426.19355	199.6
[M+Na-2H]-	388.15437	198.6
[M]+	367.17915	187.2
[M]-	367.18025	187.2

Literature stripe

literature stripe

Patent stripe

patents stripe