CID 6482702

Schembl5003407

Structural Information

Molecular Formula
C18H18N6
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CN=CC=C4
InChI
InChI=1S/C18H18N6/c1-2-15(12-20-5-1)17-13-21-14-18(22-17)24-10-8-23(9-11-24)16-3-6-19-7-4-16/h1-7,12-14H,8-11H2
InChIKey
KKUXGQIZUYUXBQ-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.1593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16658 179.8
[M+Na]+ 341.14852 185.9
[M-H]- 317.15202 182.9
[M+NH4]+ 336.19312 184.0
[M+K]+ 357.12246 177.6
[M+H-H2O]+ 301.15656 164.6
[M+HCOO]- 363.15750 192.0
[M+CH3COO]- 377.17315 186.8
[M+Na-2H]- 339.13397 185.8
[M]+ 318.15875 173.7
[M]- 318.15985 173.7
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