CID 120526

Pyrazinecarboxamide, n-(piperidinomethyl)-

Structural Information

Molecular Formula
C11H16N4O
SMILES
C1CCN(CC1)CNC(=O)C2=NC=CN=C2
InChI
InChI=1S/C11H16N4O/c16-11(10-8-12-4-5-13-10)14-9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,14,16)
InChIKey
BPRFUDZYPUTVJX-UHFFFAOYSA-N
Compound name
N-(piperidin-1-ylmethyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

220.13242 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 150.4
[M+Na]+ 243.12164 154.4
[M-H]- 219.12514 151.7
[M+NH4]+ 238.16624 163.4
[M+K]+ 259.09558 151.5
[M+H-H2O]+ 203.12968 140.2
[M+HCOO]- 265.13062 167.9
[M+CH3COO]- 279.14627 188.5
[M+Na-2H]- 241.10709 156.5
[M]+ 220.13187 144.9
[M]- 220.13297 144.9
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

patents stripe