CID 3040779

52943-15-4

Structural Information

Molecular Formula
C12H18N4O
SMILES
CNC(=O)C1=C(N=CC=C1)N2CCN(CC2)C
InChI
InChI=1S/C12H18N4O/c1-13-12(17)10-4-3-5-14-11(10)16-8-6-15(2)7-9-16/h3-5H,6-9H2,1-2H3,(H,13,17)
InChIKey
ULTOYBRJGTUCSN-UHFFFAOYSA-N
Compound name
N-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 156.0
[M+Na]+ 257.13728 161.5
[M-H]- 233.14078 157.9
[M+NH4]+ 252.18188 169.1
[M+K]+ 273.11122 158.4
[M+H-H2O]+ 217.14532 146.2
[M+HCOO]- 279.14626 173.1
[M+CH3COO]- 293.16191 193.8
[M+Na-2H]- 255.12273 160.0
[M]+ 234.14751 151.7
[M]- 234.14861 151.7
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

No patent data available for this compound.