CID 6483701

Schembl4997696

Structural Information

Molecular Formula
C20H18N6
SMILES
C1CN(CCN1C2=CC=CC=N2)C3=NC(=CN=C3)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C20H18N6/c21-13-16-4-6-17(7-5-16)18-14-22-15-20(24-18)26-11-9-25(10-12-26)19-3-1-2-8-23-19/h1-8,14-15H,9-12H2
InChIKey
VNZQXOIBPNFGKN-UHFFFAOYSA-N
Compound name
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.1593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16658 180.2
[M+Na]+ 365.14852 187.6
[M-H]- 341.15202 181.1
[M+NH4]+ 360.19312 183.4
[M+K]+ 381.12246 177.7
[M+H-H2O]+ 325.15656 158.9
[M+HCOO]- 387.15750 189.5
[M+CH3COO]- 401.17315 185.5
[M+Na-2H]- 363.13397 183.5
[M]+ 342.15875 169.2
[M]- 342.15985 169.2
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.