CID 455440

Chembl7014

Structural Information

Molecular Formula
C16H20N6O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=CN=C3
InChI
InChI=1S/C16H20N6O/c1-2-18-13-4-3-5-20-15(13)21-8-10-22(11-9-21)16(23)14-12-17-6-7-19-14/h3-7,12,18H,2,8-11H2,1H3
InChIKey
BXPLAOKORVNRBI-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.16986 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17714 176.5
[M+Na]+ 335.15908 181.5
[M-H]- 311.16258 178.5
[M+NH4]+ 330.20368 182.9
[M+K]+ 351.13302 175.7
[M+H-H2O]+ 295.16712 163.4
[M+HCOO]- 357.16806 190.6
[M+CH3COO]- 371.18371 184.0
[M+Na-2H]- 333.14453 181.2
[M]+ 312.16931 171.8
[M]- 312.17041 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.