CID 819331

Lt 151

Structural Information

Molecular Formula
C13H20N4O
SMILES
CCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C
InChI
InChI=1S/C13H20N4O/c1-3-14-13(18)11-4-5-12(15-10-11)17-8-6-16(2)7-9-17/h4-5,10H,3,6-9H2,1-2H3,(H,14,18)
InChIKey
LZQJFOLTKREEEO-UHFFFAOYSA-N
Compound name
N-ethyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16371 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 159.6
[M+Na]+ 271.15293 171.0
[M+NH4]+ 266.19753 166.2
[M+K]+ 287.12687 164.9
[M-H]- 247.15643 161.9
[M+Na-2H]- 269.13838 165.8
[M]+ 248.16316 161.6
[M]- 248.16426 161.6
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.