CID 15954349

N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide

Structural Information

Molecular Formula
C14H17N7O
SMILES
C1CN(CCN1CNC(=O)C2=NC=CN=C2)C3=NC=NC=C3
InChI
InChI=1S/C14H17N7O/c22-14(12-9-15-3-4-17-12)19-11-20-5-7-21(8-6-20)13-1-2-16-10-18-13/h1-4,9-10H,5-8,11H2,(H,19,22)
InChIKey
MNCMCRJLEBNLGX-UHFFFAOYSA-N
Compound name
N-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.14944 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15672 171.4
[M+Na]+ 322.13866 176.3
[M-H]- 298.14216 171.9
[M+NH4]+ 317.18326 176.5
[M+K]+ 338.11260 170.6
[M+H-H2O]+ 282.14670 157.8
[M+HCOO]- 344.14764 184.7
[M+CH3COO]- 358.16329 178.6
[M+Na-2H]- 320.12411 177.9
[M]+ 299.14889 166.1
[M]- 299.14999 166.1
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.