CID 6482966

Schembl5003430

Structural Information

Molecular Formula
C19H20N6
SMILES
CC1=CC(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=NC=CN=C4
InChI
InChI=1S/C19H20N6/c1-15-3-2-4-16(11-15)17-12-21-14-19(23-17)25-9-7-24(8-10-25)18-13-20-5-6-22-18/h2-6,11-14H,7-10H2,1H3
InChIKey
LBAXIKKKDNUTEY-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.17496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18224 185.4
[M+Na]+ 355.16418 192.1
[M-H]- 331.16768 188.8
[M+NH4]+ 350.20878 189.4
[M+K]+ 371.13812 183.6
[M+H-H2O]+ 315.17222 170.2
[M+HCOO]- 377.17316 197.3
[M+CH3COO]- 391.18881 192.4
[M+Na-2H]- 353.14963 190.0
[M]+ 332.17441 180.1
[M]- 332.17551 180.1
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