CID 37981

Brn 0529139

Structural Information

Molecular Formula
C12H18N4O
SMILES
CN1CCN(CC1)CNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H18N4O/c1-15-6-8-16(9-7-15)10-14-12(17)11-2-4-13-5-3-11/h2-5H,6-10H2,1H3,(H,14,17)
InChIKey
FULSTGXOHJXJSE-UHFFFAOYSA-N
Compound name
N-[(4-methylpiperazin-1-yl)methyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 155.1
[M+Na]+ 257.13728 166.3
[M+NH4]+ 252.18188 161.9
[M+K]+ 273.11122 160.3
[M-H]- 233.14078 157.4
[M+Na-2H]- 255.12273 161.8
[M]+ 234.14751 157.0
[M]- 234.14861 157.0
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.