CID 28054516

N-methyl-2-piperazin-1-yl-nicotinamide

Structural Information

Molecular Formula
C11H16N4O
SMILES
CNC(=O)C1=C(N=CC=C1)N2CCNCC2
InChI
InChI=1S/C11H16N4O/c1-12-11(16)9-3-2-4-14-10(9)15-7-5-13-6-8-15/h2-4,13H,5-8H2,1H3,(H,12,16)
InChIKey
PKJNZUNKHVUUBC-UHFFFAOYSA-N
Compound name
N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.13242 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 151.5
[M+Na]+ 243.12164 156.0
[M-H]- 219.12514 151.9
[M+NH4]+ 238.16624 164.2
[M+K]+ 259.09558 152.3
[M+H-H2O]+ 203.12968 142.0
[M+HCOO]- 265.13062 167.5
[M+CH3COO]- 279.14627 187.2
[M+Na-2H]- 241.10709 156.3
[M]+ 220.13187 144.6
[M]- 220.13297 144.6
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.