CID 6482714

Schembl4997181

Structural Information

Molecular Formula
C19H19N5
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H19N5/c1-2-4-16(5-3-1)18-14-21-15-19(22-18)24-12-10-23(11-13-24)17-6-8-20-9-7-17/h1-9,14-15H,10-13H2
InChIKey
BJSHVJFQRDTSNK-UHFFFAOYSA-N
Compound name
2-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

317.16403 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 179.1
[M+Na]+ 340.15325 184.7
[M-H]- 316.15675 183.4
[M+NH4]+ 335.19785 184.8
[M+K]+ 356.12719 176.8
[M+H-H2O]+ 300.16129 164.4
[M+HCOO]- 362.16223 192.5
[M+CH3COO]- 376.17788 186.5
[M+Na-2H]- 338.13870 184.6
[M]+ 317.16348 172.9
[M]- 317.16458 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.