CID 6482964

Schembl5003434

Structural Information

Molecular Formula
C20H21N5
SMILES
CC1=CC(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=N4
InChI
InChI=1S/C20H21N5/c1-16-5-4-6-17(13-16)18-14-21-15-20(23-18)25-11-9-24(10-12-25)19-7-2-3-8-22-19/h2-8,13-15H,9-12H2,1H3
InChIKey
QONFSAPMXUBBPS-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.1797 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18698 184.6
[M+Na]+ 354.16892 190.7
[M-H]- 330.17242 189.2
[M+NH4]+ 349.21352 190.0
[M+K]+ 370.14286 182.5
[M+H-H2O]+ 314.17696 169.9
[M+HCOO]- 376.17790 197.6
[M+CH3COO]- 390.19355 191.9
[M+Na-2H]- 352.15437 188.7
[M]+ 331.17915 179.1
[M]- 331.18025 179.1
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

patents stripe