CID 3040782

52943-17-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
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 160.4
[M+Na]+ 271.15293 165.4
[M-H]- 247.15643 162.1
[M+NH4]+ 266.19753 173.0
[M+K]+ 287.12687 162.1
[M+H-H2O]+ 231.16097 150.4
[M+HCOO]- 293.16191 177.2
[M+CH3COO]- 307.17756 196.8
[M+Na-2H]- 269.13838 163.8
[M]+ 248.16316 156.4
[M]- 248.16426 156.4
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