CID 6482694

Schembl4995183

Structural Information

Molecular Formula

C₁₉H₁₇F₂N₅

SMILES

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

InChI

InChI=1S/C19H17F2N5/c20-14-1-2-16(17(21)11-14)18-12-23-13-19(24-18)26-9-7-25(8-10-26)15-3-5-22-6-4-15/h1-6,11-13H,7-10H2

InChIKey

HPCXJKZVDWCCBM-UHFFFAOYSA-N

Compound name

2-(2,4-difluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 353.1452 Da
Monoisotopic Mass: 2.6
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]+	354.15248	187.7
[M+Na]+	376.13442	195.4
[M-H]-	352.13792	190.1
[M+NH4]+	371.17902	192.4
[M+K]+	392.10836	186.2
[M+H-H2O]+	336.14246	171.3
[M+HCOO]-	398.14340	198.9
[M+CH3COO]-	412.15905	194.6
[M+Na-2H]-	374.11987	190.2
[M]+	353.14465	180.5
[M]-	353.14575	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe